| Year |
Citation |
Score |
| 2023 |
Brlec K, Savory CN, Scanlon DO. Understanding the electronic structure of YTiOS for green hydrogen production: a hybrid-DFT and GW study. Journal of Materials Chemistry. A. 11: 16776-16787. PMID 38014403 DOI: 10.1039/d3ta02801a |
0.306 |
|
| 2023 |
Grosso BF, Davies DW, Zhu B, Walsh A, Scanlon DO. Accessible chemical space for metal nitride perovskites. Chemical Science. 14: 9175-9185. PMID 37655035 DOI: 10.1039/d3sc02171h |
0.434 |
|
| 2023 |
Nicolson A, Breternitz J, Kavanagh SR, Tomm Y, Morita K, Squires AG, Tovar M, Walsh A, Schorr S, Scanlon DO. Interplay of Static and Dynamic Disorder in the Mixed-Metal Chalcohalide SnSbSI. Journal of the American Chemical Society. PMID 37253175 DOI: 10.1021/jacs.2c13336 |
0.43 |
|
| 2022 |
Jones LAH, Xing Z, Swallow JEN, Shiel H, Featherstone TJ, Smiles MJ, Fleck N, Thakur PK, Lee TL, Hardwick LJ, Scanlon DO, Regoutz A, Veal TD, Dhanak VR. Band Alignments, Electronic Structure, and Core-Level Spectra of Bulk Molybdenum Dichalcogenides (MoS, MoSe, and MoTe). The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 126: 21022-21033. PMID 36561200 DOI: 10.1021/acs.jpcc.2c05100 |
0.322 |
|
| 2022 |
Kavanagh SR, Savory CN, Liga SM, Konstantatos G, Walsh A, Scanlon DO. Frenkel Excitons in Vacancy-Ordered Titanium Halide Perovskites (CsTiX). The Journal of Physical Chemistry Letters. 13: 10965-10975. PMID 36414263 DOI: 10.1021/acs.jpclett.2c02436 |
0.495 |
|
| 2022 |
Andreasen JW, Arca E, Bowers JW, Bär M, Breternitz J, Dale PJ, Dimitrievska M, Fermin DJ, Ganose A, Hages CJ, Hobson T, Jaramillo R, Kavanagh SR, Kayastha P, Kondrotas R, ... ... Scanlon DO, et al. Novel chalcogenides, pnictides and defect-tolerant semiconductors: general discussion. Faraday Discussions. PMID 36250438 DOI: 10.1039/d2fd90057b |
0.406 |
|
| 2022 |
Agbenyeke R, Andreasen JW, Benhaddou N, Bowers JW, Breternitz J, Bär M, Dimitrievska M, Fermin DJ, Ganose A, Hawkins C, Jaramillo R, Kavanagh SR, Kondrotas R, Major JD, Mandati S, ... ... Scanlon DO, et al. Materials design and bonding: general discussion. Faraday Discussions. PMID 36250389 DOI: 10.1039/d2fd90058k |
0.369 |
|
| 2022 |
Brlec K, Spooner KB, Skelton JM, Scanlon DO. YTiOS - a promising n-type oxysulphide for thermoelectric applications. Journal of Materials Chemistry. A. 10: 16813-16824. PMID 36092377 DOI: 10.1039/d2ta04160j |
0.31 |
|
| 2022 |
Huang YT, Kavanagh SR, Righetto M, Rusu M, Levine I, Unold T, Zelewski SJ, Sneyd AJ, Zhang K, Dai L, Britton AJ, Ye J, Julin J, Napari M, Zhang Z, ... ... Scanlon DO, et al. Strong absorption and ultrafast localisation in NaBiS nanocrystals with slow charge-carrier recombination. Nature Communications. 13: 4960. PMID 36002464 DOI: 10.1038/s41467-022-32669-3 |
0.49 |
|
| 2022 |
Ganose AM, Scanlon DO, Walsh A, Hoye RLZ. The defect challenge of wide-bandgap semiconductors for photovoltaics and beyond. Nature Communications. 13: 4715. PMID 35953493 DOI: 10.1038/s41467-022-32131-4 |
0.428 |
|
| 2022 |
Kavanagh SR, Scanlon DO, Walsh A, Freysoldt C. Impact of metastable defect structures on carrier recombination in solar cells. Faraday Discussions. PMID 35924554 DOI: 10.1039/d2fd00043a |
0.507 |
|
| 2022 |
Verma S, Rivera M, Scanlon DO, Walsh A. Machine learned calibrations to high-throughput molecular excited state calculations. The Journal of Chemical Physics. 156: 134116. PMID 35395896 DOI: 10.1063/5.0084535 |
0.389 |
|
| 2022 |
Shi J, Rubinstein EA, Li W, Zhang J, Yang Y, Lee TL, Qin C, Yan P, MacManus-Driscoll JL, Scanlon DO, Zhang KHL. Modulation of the Bi 6s Lone Pair State in Perovskites for High-Mobility p-Type Oxide Semiconductors. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). e2104141. PMID 34997681 DOI: 10.1002/advs.202104141 |
0.337 |
|
| 2021 |
Krajewska CJ, Kavanagh SR, Zhang L, Kubicki DJ, Dey K, Gałkowski K, Grey CP, Stranks SD, Walsh A, Scanlon DO, Palgrave RG. Enhanced visible light absorption in layered CsBiBr through mixed-valence Sn(ii)/Sn(iv) doping. Chemical Science. 12: 14686-14699. PMID 34820084 DOI: 10.1039/d1sc03775g |
0.513 |
|
| 2021 |
Rahim W, Skelton JM, Scanlon DO. CaSbO and CaBiO: two promising mixed-anion thermoelectrics. Journal of Materials Chemistry. A. 9: 20417-20435. PMID 34671477 DOI: 10.1039/d1ta03649a |
0.323 |
|
| 2021 |
Kavanagh SR, Savory CN, Scanlon DO, Walsh A. Hidden spontaneous polarisation in the chalcohalide photovoltaic absorber SnSbSI. Materials Horizons. 8: 2709-2716. PMID 34617541 DOI: 10.1039/d1mh00764e |
0.492 |
|
| 2021 |
Huang YT, Kavanagh SR, Scanlon DO, Walsh A, Hoye R. Corrigendum: Perovskite-Inspired Materials for Photovoltaics and Beyond - From Design to Devices (2021 Nanotechnology 32 132004). Nanotechnology. PMID 34077912 DOI: 10.1088/1361-6528/ac074b |
0.369 |
|
| 2021 |
Kavanagh SR, Walsh A, Scanlon DO. Rapid Recombination by Cadmium Vacancies in CdTe. Acs Energy Letters. 6: 1392-1398. PMID 33869771 DOI: 10.1021/acsenergylett.1c00380 |
0.494 |
|
| 2020 |
Rahim W, Skelton JM, Savory CN, Evans IR, Evans JSO, Walsh A, Scanlon DO. Polymorph exploration of bismuth stannate using first-principles phonon mode mapping. Chemical Science. 11: 7904-7909. PMID 34909139 DOI: 10.1039/d0sc02995e |
0.413 |
|
| 2020 |
Williamson BAD, Limburn GJ, Watson GW, Hyett G, Scanlon DO. Computationally Driven Discovery of Layered Quinary Oxychalcogenides: Potential -Type Transparent Conductors? Matter. 3: 759-781. PMID 34708195 DOI: 10.1016/j.matt.2020.05.020 |
0.521 |
|
| 2020 |
Huang YT, Kavanagh SR, Scanlon DO, Walsh A, Hoye R. Perovskite-Inspired Materials for Photovoltaics and Beyond - From Design to Devices. Nanotechnology. PMID 33260167 DOI: 10.1088/1361-6528/abcf6d |
0.433 |
|
| 2020 |
Crovetto A, Xing Z, Fischer M, Nielsen R, Savory CN, Rindzevicius T, Stenger N, Scanlon DO, Chorkendorff I, Vesborg PCK. Experimental and First-Principles Spectroscopy of CuSrSnS and CuBaSnS Photoabsorbers. Acs Applied Materials & Interfaces. PMID 33108169 DOI: 10.1021/acsami.0c14578 |
0.347 |
|
| 2020 |
Costa SIR, Choi YS, Fielding AJ, Naylor AJ, Griffin JM, Sofer Z, Scanlon DO, Tapia Ruiz N. Surface engineering strategy using urea to improve the rate performance of Na2Ti3O7 in Na-ion batteries. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32852862 DOI: 10.1002/Chem.202003129 |
0.369 |
|
| 2020 |
Pegg JT, Shields AE, Storr MT, Scanlon DO, de Leeuw NH. Interaction of hydrogen with actinide dioxide (011) surfaces. The Journal of Chemical Physics. 153: 014705. PMID 32640818 DOI: 10.1063/5.0010200 |
0.305 |
|
| 2020 |
Murgatroyd PAE, Smiles MJ, Savory CN, Shalvey TP, Swallow JEN, Fleck N, Robertson CM, Jäckel F, Alaria J, Major JD, Scanlon DO, Veal TD. GeSe: Optical Spectroscopy and Theoretical Study of a van der Waals Solar Absorber. Chemistry of Materials : a Publication of the American Chemical Society. 32: 3245-3253. PMID 32308255 DOI: 10.1021/Acs.Chemmater.0C00453 |
0.423 |
|
| 2020 |
Williamson BAD, Featherstone TJ, Sathasivam SS, Swallow JEN, Shiel H, Jones LAH, Smiles MJ, Regoutz A, Lee TL, Xia X, Blackman C, Thakur PK, Carmalt CJ, Parkin IP, Veal TD, ... Scanlon DO, et al. Resonant Ta Doping for Enhanced Mobility in Transparent Conducting SnO. Chemistry of Materials : a Publication of the American Chemical Society. 32: 1964-1973. PMID 32296264 DOI: 10.1021/Acs.Chemmater.9B04845 |
0.432 |
|
| 2020 |
Alotaibi AM, Williamson BAD, Sathasivam SS, Kafizas A, Alqahtani M, Sotelo-Vazquez C, Buckeridge J, Wu J, Nair SP, Scanlon DO, Parkin IP. Enhanced Photocatalytic and Antibacterial Ability of Cu-doped Anatase TiO2 Thin Films: Theory and Experiment. Acs Applied Materials & Interfaces. PMID 32109038 DOI: 10.1021/Acsami.9B22056 |
0.34 |
|
| 2020 |
Don CH, Shiel H, Hobson TDC, Savory CN, Swallow JEN, Smiles MJ, Jones LAH, Featherstone TJ, Thakur PK, Lee T, Durose K, Major JD, Dhanak VR, Scanlon DO, Veal TD. Sb 5s2 lone pairs and band alignment of Sb2Se3: a photoemission and density functional theory study Journal of Materials Chemistry C. DOI: 10.1039/D0Tc03470C |
0.421 |
|
| 2020 |
Rahim W, Skelton JM, Scanlon DO. α-Bi2Sn2O7: a potential room temperature n-type oxide thermoelectric Journal of Materials Chemistry. 8: 16405-16420. DOI: 10.1039/D0Ta03945D |
0.376 |
|
| 2020 |
Spooner KB, Ganose AM, Scanlon DO. Assessing the limitations of transparent conducting oxides as thermoelectrics Journal of Materials Chemistry. 8: 11948-11957. DOI: 10.1039/D0Ta02247K |
0.371 |
|
| 2020 |
Einhorn M, Williamson BAD, Scanlon DO. Computational prediction of the thermoelectric performance of LaZnOPn (Pn = P, As) Journal of Materials Chemistry A. 8: 7914-7924. DOI: 10.1039/D0Ta00690D |
0.34 |
|
| 2020 |
Rahim W, Skelton JM, Savory CN, Evans IR, Evans JSO, Walsh A, Scanlon DO. Polymorph exploration of bismuth stannate using first-principles phonon mode mapping Chemical Science. 11: 7904-7909. DOI: 10.1039/D0Sc02995E |
0.483 |
|
| 2020 |
Swallow JEN, Williamson BAD, Sathasivam S, Birkett M, Featherstone TJ, Murgatroyd PAE, Edwards HJ, Lebens-Higgins ZW, Duncan DA, Farnworth M, Warren P, Peng N, Lee T, Piper LFJ, Regoutz A, ... ... Scanlon DO, et al. Resonant doping for high mobility transparent conductors: the case of Mo-doped In2O3 Materials Horizons. 7: 236-243. DOI: 10.1039/C9Mh01014A |
0.374 |
|
| 2020 |
Yang H, Savory CN, Morgan BJ, Scanlon DO, Skelton JM, Walsh A. Chemical Trends in the Lattice Thermal Conductivity of Li(Ni, Mn, Co)O2 (NMC) Battery Cathodes Chemistry of Materials. 32: 7542-7550. DOI: 10.1021/Acs.Chemmater.0C02908 |
0.485 |
|
| 2020 |
Hobson TDC, Phillips LJ, Hutter OS, Shiel H, Swallow JEN, Savory CN, Nayak PK, Mariotti S, Das B, Bowen L, Jones LAH, Featherstone TJ, Smiles MJ, Farnworth MA, Zoppi G, ... ... Scanlon DO, et al. Isotype Heterojunction Solar Cells Using n-Type Sb2Se3 Thin Films Chemistry of Materials. 32: 2621-2630. DOI: 10.1021/Acs.Chemmater.0C00223 |
0.374 |
|
| 2019 |
Karim MMS, Ganose AM, Pieters L, Winnie Leung WW, Wade J, Zhang L, Scanlon DO, Palgrave RG. Anion Distribution, Structural Distortion, and Symmetry-Driven Optical Band Gap Bowing in Mixed Halide CsSnX Vacancy Ordered Double Perovskites. Chemistry of Materials : a Publication of the American Chemical Society. 31: 9430-9444. PMID 32116409 DOI: 10.1021/Acs.Chemmater.9B03267 |
0.336 |
|
| 2019 |
Davies DW, Savory CN, Frost JM, Scanlon DO, Morgan BJ, Walsh A. Descriptors for Electron and Hole Charge Carriers in Metal Oxides. The Journal of Physical Chemistry Letters. PMID 31875393 DOI: 10.1021/Acs.Jpclett.9B03398 |
0.552 |
|
| 2019 |
Yang H, Yang JY, Savory CN, Skelton JM, Morgan BJ, Scanlon DO, Walsh A. Highly Anisotropic Thermal Transport in LiCoO. The Journal of Physical Chemistry Letters. PMID 31475830 DOI: 10.1021/Acs.Jpclett.9B02073 |
0.483 |
|
| 2019 |
Fallon KJ, Budden P, Salvadori E, Ganose AM, Savory CN, Eyre L, Dowland S, Ai Q, Goodlett S, Risko C, Scanlon DO, Kay CWM, Rao A, Friend RH, Musser AJ, et al. Exploiting excited-state aromaticity to design highly stable singlet fission materials. Journal of the American Chemical Society. PMID 31381323 DOI: 10.1021/Jacs.9B06346 |
0.317 |
|
| 2019 |
Whittles TJ, Veal TD, Savory CN, Yates PJ, Murgatroyd PAE, Gibbon JT, Birkett M, Potter RJ, Major JD, Durose K, Scanlon DO, Dhanak VR. Band Alignments, Band Gap, Core Levels, and Valence Band States in CuBiS for Photovoltaics. Acs Applied Materials & Interfaces. PMID 31276370 DOI: 10.1021/Acsami.9B04268 |
0.44 |
|
| 2019 |
Williamson BAD, Buckeridge J, Chadwick NP, Sathasivam S, Carmalt CJ, Parkin IP, Scanlon DO. Dispelling the Myth of Passivated Codoping in TiO. Chemistry of Materials : a Publication of the American Chemical Society. 31: 2577-2589. PMID 31031526 DOI: 10.1021/Acs.Chemmater.9B00257 |
0.409 |
|
| 2019 |
Hodgkins TL, Savory CN, Bass KK, Seckman BL, Scanlon DO, Djurovich PI, Thompson ME, Melot BC. Anionic order and band gap engineering in vacancy ordered triple perovskites. Chemical Communications (Cambridge, England). PMID 30801588 DOI: 10.1039/C8Cc09947B |
0.347 |
|
| 2019 |
Phillips LJ, Savory CN, Hutter OS, Yates PJ, Shiel H, Mariotti S, Bowen L, Birkett M, Durose K, Scanlon DO, Major JD. Current Enhancement via a TiO2 Window Layer for CSS Sb2Se3 Solar Cells: Performance Limits and High V
oc Ieee Journal of Photovoltaics. 9: 544-551. DOI: 10.1109/Jphotov.2018.2885836 |
0.318 |
|
| 2019 |
Buckeridge J, Scanlon DO. Electronic band structure and optical properties of boron arsenide Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.051601 |
0.436 |
|
| 2019 |
Regoutz A, Ganose AM, Blumenthal L, Schlueter C, Lee T, Kieslich G, Cheetham AK, Kerherve G, Huang Y, Chen R, Vinai G, Pincelli T, Panaccione G, Zhang KHL, Egdell RG, ... ... Scanlon DO, et al. Insights into the electronic structure of
OsO2
using soft and hard x-ray photoelectron spectroscopy in combination with density functional theory Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.025001 |
0.408 |
|
| 2019 |
Wahila MJ, Lebens-Higgins ZW, Jackson AJ, Scanlon DO, Lee T, Zhang J, Zhang KHL, Piper LFJ. Band edge evolution of transparent
ZnM2IIIO4
(
MIII=Co
, Rh, Ir) spinels Physical Review B. 100. DOI: 10.1103/Physrevb.100.085126 |
0.352 |
|
| 2019 |
Buckeridge J, Veal TD, Catlow CRA, Scanlon DO. Intrinsic point defects and the n- and p-type dopability of the narrow gap semiconductors GaSb and InSb Physical Review B. 100. DOI: 10.1103/Physrevb.100.035207 |
0.437 |
|
| 2019 |
Xie Z, Sui Y, Buckeridge J, Catlow CRA, Keal TW, Sherwood P, Walsh A, Farrow MR, Scanlon DO, Woodley SM, Sokol AA. Donor and acceptor characteristics of native point defects in GaN Journal of Physics D: Applied Physics. 52: 335104. DOI: 10.1088/1361-6463/Ab2033 |
0.56 |
|
| 2019 |
Wang Z, Ganose AM, Niu C, Scanlon DO. Two-dimensional eclipsed arrangement hybrid perovskites for tunable energy level alignments and photovoltaics Journal of Materials Chemistry C. 7: 5139-5147. DOI: 10.1039/C9Tc01325C |
0.327 |
|
| 2019 |
Savory C, Scanlon DO. The complex defect chemistry of antimony selenide Journal of Materials Chemistry A. 7: 10739-10744. DOI: 10.1039/C9Ta02022E |
0.321 |
|
| 2019 |
Leung WWW, Savory CN, Palgrave RG, Scanlon DO. An experimental and theoretical study into NaSbS2 as an emerging solar absorber Journal of Materials Chemistry C. 7: 2059-2067. DOI: 10.1039/C8Tc06284F |
0.398 |
|
| 2019 |
Yeandel SR, Scanlon DO, Goddard P. Enhanced Li-ion dynamics in trivalently doped lithium phosphidosilicate Li2SiP2: a candidate material as a solid Li electrolyte Journal of Materials Chemistry A. 7: 3953-3961. DOI: 10.1039/C8Ta10788B |
0.303 |
|
| 2019 |
Squires AG, Scanlon DO, Morgan BJ. Native Defects and Their Doping Response in the Lithium Solid Electrolyte Li7La3Zr2O12 Chemistry of Materials. 32: 1876-1886. DOI: 10.1021/Acs.Chemmater.9B04319 |
0.389 |
|
| 2019 |
Maughan AE, Ganose AM, Scanlon DO, Neilson JR. Perspectives and Design Principles of Vacancy-Ordered Double Perovskite Halide Semiconductors Chemistry of Materials. 31: 1184-1195. DOI: 10.1021/Acs.Chemmater.8B05036 |
0.378 |
|
| 2018 |
Powell MJ, Williamson BAD, Baek SY, Manzi J, Potter DB, Scanlon DO, Carmalt CJ. Phosphorus doped SnO thin films for transparent conducting oxide applications: synthesis, optoelectronic properties and computational models. Chemical Science. 9: 7968-7980. PMID 30542551 DOI: 10.1039/C8Sc02152J |
0.342 |
|
| 2018 |
Walsh A, Sokol AA, Buckeridge J, Scanlon DO, Catlow CRA. Oxidation states and ionicity. Nature Materials. PMID 30275565 DOI: 10.1038/S41563-018-0165-7 |
0.532 |
|
| 2018 |
Pegg JT, Shields AE, Storr MT, Wills AS, Scanlon DO, de Leeuw NH. Hidden magnetic order in plutonium dioxide nuclear fuel. Physical Chemistry Chemical Physics : Pccp. PMID 30067255 DOI: 10.1039/C8Cp03583K |
0.32 |
|
| 2018 |
Ganose AM, Matsumoto S, Buckeridge J, Scanlon DO. Defect Engineering of Earth-Abundant Solar Absorbers BiSI and BiSeI. Chemistry of Materials : a Publication of the American Chemical Society. 30: 3827-3835. PMID 29910535 DOI: 10.1021/Acs.Chemmater.8B01135 |
0.411 |
|
| 2018 |
Das PK, Sławińska J, Vobornik I, Fujii J, Regoutz A, Kahk JM, Scanlon DO, Morgan BJ, McGuinness C, Plekhanov E, Di Sante D, Huang Y, Chen R, Rossi G, Picozzi S, et al. Role of spin-orbit coupling in the electronic structure of
IrO2 Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.065001 |
0.353 |
|
| 2018 |
Buckeridge J, Catlow CRA, Farrow MR, Logsdail AJ, Scanlon DO, Keal TW, Sherwood P, Woodley SM, Sokol AA, Walsh A. Deep vs shallow nature of oxygen vacancies and consequent
n
-type carrier concentrations in transparent conducting oxides Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.054604 |
0.563 |
|
| 2018 |
Ganose AM, Gannon L, Fabrizi F, Nowell H, Barnett SA, Lei H, Zhu X, Petrovic C, Scanlon DO, Hoesch M. Local corrugation and persistent charge density wave in
ZrTe3
with Ni intercalation Physical Review B. 97. DOI: 10.1103/Physrevb.97.155103 |
0.39 |
|
| 2018 |
Walsh A, Scanlon DO, Wei S. Preface for Special Topic: Earth abundant materials in solar cells Apl Materials. 6: 084401. DOI: 10.1063/1.5052266 |
0.457 |
|
| 2018 |
Birkett M, Savory CN, Rajpalke MK, Linhart WM, Whittles TJ, Gibbon JT, Welch AW, Mitrovic IZ, Zakutayev A, Scanlon DO, Veal TD. Band gap temperature-dependence and exciton-like state in copper antimony sulphide, CuSbS2 Apl Materials. 6: 084904. DOI: 10.1063/1.5030207 |
0.395 |
|
| 2018 |
Ponja SD, Williamson BAD, Sathasivam S, Scanlon DO, Parkin IP, Carmalt CJ. Enhanced electrical properties of antimony doped tin oxide thin films deposited via aerosol assisted chemical vapour deposition Journal of Materials Chemistry C. 6: 7257-7266. DOI: 10.1039/C8Tc01929K |
0.327 |
|
| 2018 |
Wang Z, Ganose A, Niu C, Scanlon DO. First-principles insights into tin-based two-dimensional hybrid halide perovskites for photovoltaics Journal of Materials Chemistry A. 6: 5652-5660. DOI: 10.1039/C8Ta00751A |
0.328 |
|
| 2018 |
Bashian NH, Zhou S, Zuba M, Ganose AM, Stiles JW, Ee A, Ashby DS, Scanlon DO, Piper LFJ, Dunn B, Melot BC. Correlated Polyhedral Rotations in the Absence of Polarons during Electrochemical Insertion of Lithium in ReO3 Acs Energy Letters. 3: 2513-2519. DOI: 10.1021/Acsenergylett.8B01179 |
0.374 |
|
| 2018 |
Maughan AE, Ganose AM, Almaker MA, Scanlon DO, Neilson JR. Tolerance Factor and Cooperative Tilting Effects in Vacancy-Ordered Double Perovskite Halides Chemistry of Materials. 30: 3909-3919. DOI: 10.1021/Acs.Chemmater.8B01549 |
0.357 |
|
| 2017 |
Whittles TJ, Veal TD, Savory CN, Welch AW, Lucas FWS, Gibbon JT, Birkett M, Potter RJ, Scanlon DO, Zakutayev A, Dhanak VR. Core-Levels, Band Alignments, and Valence Band States in CuSbS2 for Solar Cell Applications. Acs Applied Materials & Interfaces. PMID 29124940 DOI: 10.1021/Acsami.7B14208 |
0.435 |
|
| 2017 |
Hendon CH, Butler KT, Ganose AM, Román-Leshkov Y, Scanlon DO, Ozin GA, Walsh A. Electroactive Nanoporous Metal Oxides and Chalcogenides by Chemical Design. Chemistry of Materials : a Publication of the American Chemical Society. 29: 3663-3670. PMID 28572706 DOI: 10.1021/Acs.Chemmater.7B00464 |
0.525 |
|
| 2017 |
Sathasivam S, Williamson BAD, Al Thabaiti SA, Obaid AY, Basahel SN, Mokhtar M, Scanlon DO, Carmalt CJ, Parkin IP. Chemical Vapor Deposition Synthesis and Optical Properties of Nb2O5 thin films with Hybrid Functional Theoretical Insight into Band Structure and Band Gaps. Acs Applied Materials & Interfaces. PMID 28492079 DOI: 10.1021/Acsami.7B00907 |
0.353 |
|
| 2017 |
Walsh A, Sokol AA, Buckeridge J, Scanlon DO, Catlow CRA. Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity. The Journal of Physical Chemistry Letters. 8: 2074-2075. PMID 28468501 DOI: 10.1021/Acs.Jpclett.7B00809 |
0.525 |
|
| 2017 |
Peng H, Scanlon DO, Stevanovic V, Vidal J, Watson GW, Lany S. Addendum to “Convergence of density and hybrid functional defect calculations for compound semiconductors” Physical Review B. 96. DOI: 10.1103/Physrevb.96.239903 |
0.535 |
|
| 2017 |
Biswas D, Ganose AM, Yano R, Riley JM, Bawden L, Clark OJ, Feng J, Collins-Mcintyre L, Sajjad MT, Meevasana W, Kim TK, Hoesch M, Rault JE, Sasagawa T, Scanlon DO, et al. Narrow-band anisotropic electronic structure of
ReS2 Physical Review B. 96. DOI: 10.1103/Physrevb.96.085205 |
0.417 |
|
| 2017 |
Birkett M, Savory CN, Fioretti AN, Thompson P, Muryn CA, Weerakkody AD, Mitrovic IZ, Hall S, Treharne R, Dhanak VR, Scanlon DO, Zakutayev A, Veal TD. Atypically small temperature-dependence of the direct band gap in the metastable semiconductor copper nitrideCu3N Physical Review B. 95. DOI: 10.1103/Physrevb.95.115201 |
0.394 |
|
| 2017 |
Arca E, Kehoe AB, Veal TD, Shmeliov A, Scanlon DO, Downing C, Daly D, Mullarkey D, Shvets IV, Nicolosi V, Watson GW. Valence band modification of Cr2O3 by Ni-doping: creating a high figure of merit p-type TCO Journal of Materials Chemistry C. 5: 12610-12618. DOI: 10.1039/C7Tc03545D |
0.573 |
|
| 2017 |
Dixon SC, Sathasivam S, Williamson BAD, Scanlon DO, Carmalt CJ, Parkin IP. Transparent conducting n-type ZnO:Sc – synthesis, optoelectronic properties and theoretical insight Journal of Materials Chemistry C. 5: 7585-7597. DOI: 10.1039/C7Tc02389H |
0.332 |
|
| 2017 |
Ganose AM, Savory CN, Scanlon DO. Electronic and defect properties of (CH3NH3)2Pb(SCN)2I2analogues for photovoltaic applications Journal of Materials Chemistry A. 5: 7845-7853. DOI: 10.1039/C7Ta01688C |
0.4 |
|
| 2017 |
Quesada-Gonzalez M, Williamson BAD, Sotelo-Vazquez C, Kafizas A, Boscher ND, Quesada-Cabrera R, Scanlon DO, Carmalt CJ, Parkin IP. Deeper Understanding of Interstitial Boron-Doped Anatase Thin Films as A Multifunctional Layer Through Theory and Experiment The Journal of Physical Chemistry C. 122: 714-726. DOI: 10.1021/Acs.Jpcc.7B11142 |
0.355 |
|
| 2017 |
Sathasivam S, Williamson BAD, Kafizas A, Althabaiti SA, Obaid AY, Basahel SN, Scanlon DO, Carmalt CJ, Parkin IP. Computational and Experimental Study of Ta2O5 Thin Films The Journal of Physical Chemistry C. 121: 202-210. DOI: 10.1021/Acs.Jpcc.6B11073 |
0.352 |
|
| 2017 |
Maughan AE, Ganose AM, Candia AM, Granger JT, Scanlon DO, Neilson JR. Anharmonicity and Octahedral Tilting in Hybrid Vacancy-Ordered Double Perovskites Chemistry of Materials. 30: 472-483. DOI: 10.1021/Acs.Chemmater.7B04516 |
0.338 |
|
| 2017 |
Savory CN, Ganose AM, Scanlon DO. Exploring the PbS–Bi2S3 Series for Next Generation Energy Conversion Materials Chemistry of Materials. 29: 5156-5167. DOI: 10.1021/Acs.Chemmater.7B00628 |
0.422 |
|
| 2017 |
Hoye RLZ, Schulz P, Schelhas LT, Holder AM, Stone KH, Perkins JD, Vigil-Fowler D, Siol S, Scanlon DO, Zakutayev A, Walsh A, Smith IC, Melot BC, Kurchin RC, Wang Y, et al. Perovskite-Inspired Photovoltaic Materials: Toward Best Practices in Materials Characterization and Calculations Chemistry of Materials. 29: 1964-1988. DOI: 10.1021/Acs.Chemmater.6B03852 |
0.528 |
|
| 2017 |
Farrow MR, Buckeridge J, Lazauskas T, Mora-Fonz D, Scanlon DO, Catlow CRA, Woodley SM, Sokol AA. Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors Physica Status Solidi (a). 214: 1600440. DOI: 10.1002/Pssa.201600440 |
0.43 |
|
| 2017 |
Sotelo-Vazquez C, Quesada-Cabrera R, Ling M, Scanlon DO, Kafizas A, Thakur PK, Lee T, Taylor A, Watson GW, Palgrave RG, Durrant JR, Blackman CS, Parkin IP. Photocatalysis: Evidence and Effect of Photogenerated Charge Transfer for Enhanced Photocatalysis in WO3
/TiO2
Heterojunction Films: A Computational and Experimental Study (Adv. Funct. Mater. 18/2017) Advanced Functional Materials. 27. DOI: 10.1002/Adfm.201770108 |
0.522 |
|
| 2017 |
Swallow JEN, Williamson BAD, Whittles TJ, Birkett M, Featherstone TJ, Peng N, Abbott A, Farnworth M, Cheetham KJ, Warren P, Scanlon DO, Dhanak VR, Veal TD. Self-Compensation in Transparent Conducting F-Doped SnO2 Advanced Functional Materials. 28: 1701900. DOI: 10.1002/Adfm.201701900 |
0.395 |
|
| 2017 |
Sotelo-Vazquez C, Quesada-Cabrera R, Ling M, Scanlon DO, Kafizas A, Thakur PK, Lee T, Taylor A, Watson GW, Palgrave RG, Durrant JR, Blackman CS, Parkin IP. Evidence and Effect of Photogenerated Charge Transfer for Enhanced Photocatalysis in WO3
/TiO2
Heterojunction Films: A Computational and Experimental Study Advanced Functional Materials. 27: 1605413. DOI: 10.1002/Adfm.201605413 |
0.6 |
|
| 2016 |
Bhachu DS, Moniz SJA, Sathasivam S, Scanlon DO, Walsh A, Bawaked SM, Mokhtar M, Obaid AY, Parkin IP, Tang J, Carmalt CJ. Bismuth oxyhalides: synthesis, structure and photoelectrochemical activity. Chemical Science. 7: 4832-4841. PMID 30155131 DOI: 10.1039/C6Sc00389C |
0.565 |
|
| 2016 |
Travis W, Glover ENK, Bronstein H, Scanlon DO, Palgrave RG. On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system. Chemical Science. 7: 4548-4556. PMID 30155101 DOI: 10.1039/C5Sc04845A |
0.337 |
|
| 2016 |
Savory CN, Walsh A, Scanlon DO. Can Pb-Free Halide Double Perovskites Support High-Efficiency Solar Cells? Acs Energy Letters. 1: 949-955. PMID 28066823 DOI: 10.1021/Acsenergylett.6B00471 |
0.53 |
|
| 2016 |
Marchand P, Sathasivam S, Williamson BA, Pugh D, Bawaked SM, Basahel SN, Obaid AY, Scanlon DO, Parkin IP, Carmalt CJ. A single-source precursor approach to solution processed indium arsenide thin films. Journal of Materials Chemistry. C, Materials For Optical and Electronic Devices. 4: 6761-6768. PMID 27774150 DOI: 10.1039/C6Tc02293F |
0.763 |
|
| 2016 |
Savory CN, Ganose AM, Travis W, Atri RS, Palgrave RG, Scanlon DO. An assessment of silver copper sulfides for photovoltaic applications: theoretical and experimental insights. Journal of Materials Chemistry. a, Materials For Energy and Sustainability. 4: 12648-12657. PMID 27774149 DOI: 10.1039/C6Ta03376H |
0.416 |
|
| 2016 |
Ganose AM, Savory CN, Scanlon DO. Beyond methylammonium lead iodide: prospects for the emergent field of ns(2) containing solar absorbers. Chemical Communications (Cambridge, England). PMID 27722664 DOI: 10.1039/C6Cc06475B |
0.328 |
|
| 2016 |
Wu L, Dzade NY, Gao L, Scanlon DO, Öztürk Z, Hollingsworth N, Weckhuysen BM, Hensen EJ, de Leeuw NH, Hofmann JP. Enhanced Photoresponse of FeS2 Films: The Role of Marcasite-Pyrite Phase Junctions. Advanced Materials (Deerfield Beach, Fla.). PMID 27628579 DOI: 10.1002/Adma.201602222 |
0.345 |
|
| 2016 |
Bass KK, Estergreen L, Savory CN, Buckeridge J, Scanlon DO, Djurovich PI, Bradforth SE, Thompson ME, Melot BC. Vibronic Structure in Room Temperature Photoluminescence of the Halide Perovskite Cs3Bi2Br9. Inorganic Chemistry. PMID 27622511 DOI: 10.1021/Acs.Inorgchem.6B01571 |
0.418 |
|
| 2016 |
Maughan AE, Ganose AM, Bordelon MM, Miller EM, Scanlon DO, Neilson JR. Defect tolerance to intolerance in the vacancy-ordered double perovskite semiconductors Cs2SnI6 and Cs2TeI6. Journal of the American Chemical Society. PMID 27284638 DOI: 10.1021/Jacs.6B03207 |
0.459 |
|
| 2016 |
Ganose AM, Cuff M, Butler KT, Walsh A, Scanlon DO. Interplay of Orbital and Relativistic Effects in Bismuth Oxyhalides: BiOF, BiOCl, BiOBr, and BiOI. Chemistry of Materials : a Publication of the American Chemical Society. 28: 1980-1984. PMID 27274616 DOI: 10.1021/Acs.Chemmater.6B00349 |
0.481 |
|
| 2016 |
Kehoe AB, Scanlon DO, Watson GW. Modelling potential photovoltaic absorbers Cu3 MCh 4 (M = V, Nb, Ta; Ch = S, Se, Te) using density functional theory. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 175801. PMID 27033972 DOI: 10.1088/0953-8984/28/17/175801 |
0.627 |
|
| 2016 |
Travis W, Knapp CE, Savory CN, Ganose AM, Kafourou P, Song X, Sharif Z, Cockcroft JK, Scanlon DO, Bronstein H, Palgrave RG. Hybrid Organic-Inorganic Coordination Complexes as Tunable Optical Response Materials. Inorganic Chemistry. PMID 26974692 DOI: 10.1021/Acs.Inorgchem.5B02749 |
0.376 |
|
| 2016 |
Kehoe AB, Arca E, Scanlon DO, Shvets IV, Watson GW. Assessing the potential of Mg-doped Cr2O3 as a novel p-type transparent conducting oxide. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 125501. PMID 26910806 DOI: 10.1088/0953-8984/28/12/125501 |
0.61 |
|
| 2016 |
Savory CN, Palgrave RG, Bronstein H, Scanlon DO. Spatial Electron-hole Separation in a One Dimensional Hybrid Organic-Inorganic Lead Iodide. Scientific Reports. 6: 20626. PMID 26858147 DOI: 10.1038/Srep20626 |
0.341 |
|
| 2016 |
Lebens-Higgins Z, Scanlon DO, Paik H, Sallis S, Nie Y, Uchida M, Quackenbush NF, Wahila MJ, Sterbinsky GE, Arena DA, Woicik JC, Schlom DG, Piper LF. Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide. Physical Review Letters. 116: 027602. PMID 26824566 DOI: 10.1103/Physrevlett.116.027602 |
0.435 |
|
| 2016 |
Linhart WM, Rajpalke MK, Buckeridge J, Murgatroyd PAE, Bomphrey JJ, Alaria J, Catlow CRA, Scanlon DO, Ashwin MJ, Veal TD. Band gap reduction in InNxSb1-x alloys: Optical absorption, k · P modeling, and density functional theory Applied Physics Letters. 109: 132104. DOI: 10.1063/1.4963836 |
0.407 |
|
| 2016 |
Butler KT, McKechnie S, Azarhoosh P, van Schilfgaarde M, Scanlon DO, Walsh A. Quasi-particle electronic band structure and alignment of the V-VI-VII semiconductors SbSI, SbSBr, and SbSeI for solar cells Applied Physics Letters. 108: 112103. DOI: 10.1063/1.4943973 |
0.547 |
|
| 2016 |
Dixon SC, Scanlon DO, Carmalt CJ, Parkin IP. n-Type doped transparent conducting binary oxides: an overview Journal of Materials Chemistry C. 4: 6946-6961. DOI: 10.1039/C6Tc01881E |
0.336 |
|
| 2016 |
Bhachu DS, Moniz SJA, Sathasivam S, Scanlon DO, Walsh A, Bawaked SM, Mokhtar M, Obaid AY, Parkin IP, Tang J, Carmalt CJ. Bismuth oxyhalides: Synthesis, structure and photoelectrochemical activity Chemical Science. 7: 4832-4841. DOI: 10.1039/c6sc00389c |
0.507 |
|
| 2016 |
Ganose AM, Scanlon DO. Band gap and work function tailoring of SnO2 for improved transparent conducting ability in photovoltaics Journal of Materials Chemistry C. 4: 1467-1475. DOI: 10.1039/C5Tc04089B |
0.466 |
|
| 2016 |
Ganose AM, Butler KT, Walsh A, Scanlon DO. Relativistic electronic structure and band alignment of BiSI and BiSeI: Candidate photovoltaic materials Journal of Materials Chemistry A. 4: 2060-2068. DOI: 10.1039/C5Ta09612J |
0.585 |
|
| 2016 |
Lopez-Bermudez B, Zeier WG, Zhou S, Lehner AJ, Hu J, Scanlon DO, Morgan BJ, Melot BC. Lithium-ion conductivity in Li6Y(BO3)3: A thermally and electrochemically robust solid electrolyte Journal of Materials Chemistry A. 4: 6972-6979. DOI: 10.1039/C5Ta09436D |
0.331 |
|
| 2016 |
Sathasivam S, Arnepalli RR, Bhachu DS, Lu Y, Buckeridge J, Scanlon DO, Kumar B, Singh KK, Visser RJ, Blackman CS, Carmalt CJ. Single Step Solution Processed GaAs Thin Films from GaMe3andtBuAsH2under Ambient Pressure The Journal of Physical Chemistry C. 120: 7013-7019. DOI: 10.1021/Acs.Jpcc.6B00850 |
0.301 |
|
| 2016 |
Williamson BAD, Buckeridge J, Brown J, Ansbro S, Palgrave RG, Scanlon DO. Engineering Valence Band Dispersion for High Mobility p-Type Semiconductors Chemistry of Materials. 29: 2402-2413. DOI: 10.1021/Acs.Chemmater.6B03306 |
0.424 |
|
| 2016 |
Chutia A, Silverwood IP, Farrow MR, Scanlon DO, Wells PP, Bowker M, Parker SF, Catlow CRA. Adsorption of formate species on Cu(h,k,l) low index surfaces Surface Science. 653: 45-54. DOI: 10.1016/J.Susc.2016.05.002 |
0.301 |
|
| 2016 |
Johnson ID, Lübke M, Wu OY, Makwana NM, Smales GJ, Islam HU, Dedigama RY, Gruar RI, Tighe CJ, Scanlon DO, Corà F, Brett DJL, Shearing PR, Darr JA. Pilot-scale continuous synthesis of a vanadium-doped LiFePO4/C nanocomposite high-rate cathodes for lithium-ion batteries Journal of Power Sources. 302: 410-418. DOI: 10.1016/J.Jpowsour.2015.10.068 |
0.337 |
|
| 2016 |
Xie Z, Sui Y, Buckeridge J, Catlow CRA, Keal TW, Sherwood P, Walsh A, Scanlon DO, Woodley SM, Sokol AA. Demonstration of the donor characteristics of Si and O defects in GaN using hybrid QM/MM Physica Status Solidi (a). 214: 1600445. DOI: 10.1002/Pssa.201600445 |
0.532 |
|
| 2016 |
Wu L, Dzade NY, Gao L, Scanlon DO, Öztürk Z, Hollingsworth N, Weckhuysen BM, Hensen EJM, de Leeuw NH, Hofmann JP. Photoelectrochemistry: Enhanced Photoresponse of FeS2
Films: The Role of Marcasite-Pyrite Phase Junctions (Adv. Mater. 43/2016) Advanced Materials. 28: 9656-9656. DOI: 10.1002/Adma.201670305 |
0.32 |
|
| 2015 |
Scanlon DO, Walsh A. Polymorph engineering of CuMO2 (M = Al, Ga, Sc, Y) semiconductors for solar energy applications: from delafossite to wurtzite. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials. 71: 702-6. PMID 26634726 DOI: 10.1107/S2052520615018387 |
0.584 |
|
| 2015 |
Ganose AM, Savory CN, Scanlon DO. (CH3NH3)2Pb(SCN)2I2: A More Stable Structural Motif for Hybrid Halide Photovoltaics? The Journal of Physical Chemistry Letters. 6: 4594-8. PMID 26525942 DOI: 10.1021/Acs.Jpclett.5B02177 |
0.406 |
|
| 2015 |
Buckeridge J, Catlow CR, Scanlon DO, Keal TW, Sherwood P, Miskufova M, Walsh A, Woodley SM, Sokol AA. Buckeridge et al. Reply. Physical Review Letters. 115: 029702. PMID 26207509 DOI: 10.1103/Physrevlett.115.029702 |
0.397 |
|
| 2015 |
Buckeridge J, Catlow CR, Scanlon DO, Keal TW, Sherwood P, Miskufova M, Walsh A, Woodley SM, Sokol AA. Determination of the nitrogen vacancy as a shallow compensating center in GaN doped with divalent metals. Physical Review Letters. 114: 016405. PMID 25615487 DOI: 10.1103/Physrevlett.114.016405 |
0.557 |
|
| 2015 |
Walsh A, Scanlon DO, Chen S, Gong XG, Wei SH. Self-regulation mechanism for charged point defects in hybrid halide perovskites. Angewandte Chemie (International Ed. in English). 54: 1791-4. PMID 25504875 DOI: 10.1002/Anie.201409740 |
0.516 |
|
| 2015 |
Buckeridge J, Catlow CRA, Scanlon DO, Keal TW, Sherwood P, Miskufova M, Walsh A, Woodley SM, Sokol AA. Buckeridge et al. Reply Physical Review Letters. 115. DOI: 10.1103/PhysRevLett.115.029702 |
0.315 |
|
| 2015 |
Buckeridge J, Catlow CRA, Scanlon DO, Keal TW, Sherwood P, Miskufova M, Walsh A, Woodley SM, Sokol AA. Determination of the nitrogen vacancy as a shallow compensating center in GaN doped with divalent metals Physical Review Letters. 114. DOI: 10.1103/PhysRevLett.114.016405 |
0.438 |
|
| 2015 |
Hiley CI, Scanlon DO, Sokol AA, Woodley SM, Ganose AM, Sangiao S, De Teresa JM, Manuel P, Khalyavin DD, Walker M, Lees MR, Walton RI. Antiferromagnetism at T>500 K in the layered hexagonal ruthenate SrR u2 O6 Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.104413 |
0.352 |
|
| 2015 |
Butler KT, Crespo-Otero R, Buckeridge J, Scanlon DO, Bovill E, Lidzey D, Walsh A. Band energy control of molybdenum oxide by surface hydration Applied Physics Letters. 107. DOI: 10.1063/1.4937460 |
0.545 |
|
| 2015 |
Kehoe AB, Scanlon DO, Watson GW. The electronic structure of sulvanite structured semiconductors Cu3MCh4 (M = V, Nb, Ta; Ch = S, Se, Te): Prospects for optoelectronic applications Journal of Materials Chemistry C. 3: 12236-12244. DOI: 10.1039/C5Tc02760H |
0.623 |
|
| 2015 |
Sotelo-Vazquez C, Noor N, Kafizas A, Quesada-Cabrera R, Scanlon DO, Taylor A, Durrant JR, Parkin IP. Multifunctional P-doped TiO2 Films: A new approach to self-cleaning, transparent conducting oxide materials Chemistry of Materials. 27: 3234-3242. DOI: 10.1021/Cm504734A |
0.338 |
|
| 2015 |
Bhachu DS, Scanlon DO, Sankar G, Veal TD, Egdell RG, Cibin G, Dent AJ, Knapp CE, Carmalt CJ, Parkin IP. Origin of high mobility in molybdenum-doped indium oxide Chemistry of Materials. 27: 2788-2796. DOI: 10.1021/Cm503896H |
0.435 |
|
| 2015 |
Mora-Fonz D, Buckeridge J, Logsdail AJ, Scanlon DO, Sokol AA, Woodley S, Catlow CRA. Morphological features and band bending at nonpolar surfaces of ZnO Journal of Physical Chemistry C. 119: 11598-11611. DOI: 10.1021/Acs.Jpcc.5B01331 |
0.386 |
|
| 2015 |
Buckeridge J, Butler KT, Catlow CRA, Logsdail AJ, Scanlon DO, Shevlin SA, Woodley SM, Sokol AA, Walsh A. Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination Chemistry of Materials. 27: 3844-3851. DOI: 10.1021/Acs.Chemmater.5B00230 |
0.553 |
|
| 2015 |
Regoutz A, Egdell RG, Morgan DJ, Palgrave RG, Téllez H, Skinner SJ, Payne DJ, Watson GW, Scanlon DO. Electronic and surface properties of Ga-doped In2O3 ceramics Applied Surface Science. 349: 970-982. DOI: 10.1016/J.Apsusc.2015.04.106 |
0.56 |
|
| 2015 |
Buckeridge J, Butler KT, Catlow CRA, Logsdail AJ, Scanlon DO, Shevlin SA, Woodley SM, Sokol AA, Walsh A. ChemInform Abstract: Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination. Cheminform. 46: no-no. DOI: 10.1002/chin.201531001 |
0.376 |
|
| 2015 |
Walsh A, Scanlon DO, Chen S, Gong XG, Wei SH. Self-regulation mechanism for charged point defects in hybrid halide perovskites Angewandte Chemie - International Edition. 54: 1791-1794. DOI: 10.1002/anie.201409740 |
0.388 |
|
| 2015 |
Veal TD, Feldberg N, Quackenbush NF, Linhart WM, Scanlon DO, Piper LFJ, Durbin SM. Band Gap Dependence on Cation Disorder in ZnSnN2 Solar Absorber Advanced Energy Materials. 5. DOI: 10.1002/Aenm.201501462 |
0.367 |
|
| 2014 |
Deacon-Smith DE, Scanlon DO, Catlow CR, Sokol AA, Woodley SM. Interlayer cation exchange stabilizes polar perovskite surfaces. Advanced Materials (Deerfield Beach, Fla.). 26: 7252-6. PMID 25196987 DOI: 10.1002/Adma.201401858 |
0.306 |
|
| 2014 |
Sokol AA, Farrow MR, Buckeridge J, Logsdail AJ, Catlow CR, Scanlon DO, Woodley SM. Double bubbles: a new structural motif for enhanced electron-hole separation in solids. Physical Chemistry Chemical Physics : Pccp. 16: 21098-105. PMID 24969266 DOI: 10.1039/C4Cp01900H |
0.352 |
|
| 2014 |
Kahk JM, Poll CG, Oropeza FE, Ablett JM, Céolin D, Rueff JP, Agrestini S, Utsumi Y, Tsuei KD, Liao YF, Borgatti F, Panaccione G, Regoutz A, Egdell RG, Morgan BJ, ... Scanlon DO, et al. Understanding the electronic structure of IrO2 using hard-X-ray photoelectron spectroscopy and density-functional theory. Physical Review Letters. 112: 117601. PMID 24702416 DOI: 10.1103/Physrevlett.112.117601 |
0.371 |
|
| 2014 |
Melot BC, Scanlon DO, Reynaud M, Rousse G, Chotard JN, Henry M, Tarascon JM. Chemical and structural indicators for large redox potentials in Fe-based positive electrode materials. Acs Applied Materials & Interfaces. 6: 10832-9. PMID 24588538 DOI: 10.1021/Am405579H |
0.304 |
|
| 2014 |
Vasheghani Farahani SK, Veal TD, Mudd JJ, Scanlon DO, Watson GW, Bierwagen O, White ME, Speck JS, McConville CF. Valence-band density of states and surface electron accumulation in epitaxial SnO2 films Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.155413 |
0.617 |
|
| 2014 |
Logsdail AJ, Scanlon DO, Catlow CRA, Sokol AA. Bulk ionization potentials and band alignments from three-dimensional periodic calculations as demonstrated on rocksalt oxides Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.155106 |
0.423 |
|
| 2014 |
Buckeridge J, Scanlon DO, Veal TD, Ashwin MJ, Walsh A, Catlow CRA. N incorporation and associated localized vibrational modes in GaSb Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.014107 |
0.493 |
|
| 2014 |
Scanlon DO, Buckeridge J, Catlow CRA, Watson GW. Understanding doping anomalies in degenerate p-type semiconductor LaCuOSe Journal of Materials Chemistry C. 2: 3429-3438. DOI: 10.1039/C4Tc00096J |
0.606 |
|
| 2014 |
Bayliss RD, Cook SN, Scanlon DO, Fearn S, Cabana J, Greaves C, Kilner JA, Skinner SJ. Understanding the defect chemistry of alkali metal strontium silicate solid solutions: Insights from experiment and theory Journal of Materials Chemistry A. 2: 17919-17924. DOI: 10.1039/C4Ta04299A |
0.39 |
|
| 2014 |
Wilson SS, Bosco JP, Tolstova Y, Scanlon DO, Watson GW, Atwater HA. Interface stoichiometry control to improve device voltage and modify band alignment in ZnO/Cu2O heterojunction solar cells Energy and Environmental Science. 7: 3606-3610. DOI: 10.1039/C4Ee01956C |
0.576 |
|
| 2014 |
Kahk JM, Sheridan DL, Kehoe AB, Scanlon DO, Morgan BJ, Watson GW, Payne DJ. The electronic structure of silver orthophosphate: Experiment and theory Journal of Materials Chemistry A. 2: 6092-6099. DOI: 10.1039/C3Ta14191H |
0.588 |
|
| 2014 |
Yoo SH, Walsh A, Scanlon DO, Soon A. Electronic structure and band alignment of zinc nitride, Zn 3N2 Rsc Advances. 4: 3306-3311. DOI: 10.1039/C3Ra46558F |
0.719 |
|
| 2014 |
Logsdail AJ, Mora-Fonz D, Scanlon DO, Catlow CRA, Sokol AA. Structural, energetic and electronic properties of (100) surfaces for alkaline earth metal oxides as calculated with hybrid density functional theory Surface Science. DOI: 10.1016/J.Susc.2015.06.012 |
0.447 |
|
| 2014 |
Carey JJ, Allen JP, Scanlon DO, Watson GW. The electronic structure of the antimony chalcogenide series: Prospects for optoelectronic applications Journal of Solid State Chemistry. 213: 116-125. DOI: 10.1016/J.Jssc.2014.02.014 |
0.643 |
|
| 2014 |
Keating PRL, Scanlon DO, Watson GW. The nature of oxygen states on the surfaces of CeO2 and La-doped CeO2 Chemical Physics Letters. 608: 239-243. DOI: 10.1016/J.Cplett.2014.05.094 |
0.544 |
|
| 2014 |
Buckeridge J, Scanlon DO, Walsh A, Catlow CRA. Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds Computer Physics Communications. 185: 330-338. DOI: 10.1016/J.Cpc.2013.08.026 |
0.474 |
|
| 2014 |
Bhachu DS, Sathasivam S, Sankar G, Scanlon DO, Cibin G, Carmalt CJ, Parkin IP, Watson GW, Bawaked SM, Obaid AY, Al-Thabaiti S, Basahel SN. Solution processing route to multifunctional titania thin films: Highly conductive and photcatalytically active Nb:TiO2 Advanced Functional Materials. 24: 5075-5085. DOI: 10.1002/Adfm.201400338 |
0.593 |
|
| 2014 |
Kafizas A, Noor N, Carmichael P, Scanlon DO, Carmalt CJ, Parkin IP. Combinatorial atmospheric pressure chemical vapor deposition of F:TiO 2; The relationship between photocatalysis and transparent conducting oxide properties Advanced Functional Materials. 24: 1758-1771. DOI: 10.1002/Adfm.201301333 |
0.317 |
|
| 2013 |
Kehoe AB, Temple DJ, Watson GW, Scanlon DO. Cu3MCh3 (M = Sb, Bi; Ch = S, Se) as candidate solar cell absorbers: insights from theory. Physical Chemistry Chemical Physics : Pccp. 15: 15477-84. PMID 23942576 DOI: 10.1039/C3Cp52482E |
0.598 |
|
| 2013 |
Scanlon DO, Dunnill CW, Buckeridge J, Shevlin SA, Logsdail AJ, Woodley SM, Catlow CR, Powell MJ, Palgrave RG, Parkin IP, Watson GW, Keal TW, Sherwood P, Walsh A, Sokol AA. Band alignment of rutile and anatase TiOâ‚‚. Nature Materials. 12: 798-801. PMID 23832124 DOI: 10.1038/Nmat3697 |
0.676 |
|
| 2013 |
Chen B, Laverock J, Piper LF, Preston AR, Cho SW, DeMasi A, Smith KE, Scanlon DO, Watson GW, Egdell RG, Glans PA, Guo JH. The band structure of WO3 and non-rigid-band behaviour in Na0.67WO3 derived from soft x-ray spectroscopy and density functional theory. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 165501. PMID 23553445 DOI: 10.1088/0953-8984/25/16/165501 |
0.617 |
|
| 2013 |
Walsh A, Kehoe AB, Temple DJ, Watson GW, Scanlon DO. PbO2: from semi-metal to transparent conducting oxide by defect chemistry control. Chemical Communications (Cambridge, England). 49: 448-50. PMID 23205392 DOI: 10.1039/C2Cc35928F |
0.654 |
|
| 2013 |
Walsh A, Scanlon DO. Polymorphism of indium oxide: Materials physics of orthorhombic In 2O3 Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.161201 |
0.578 |
|
| 2013 |
Peng H, Scanlon DO, Stevanovic V, Vidal J, Watson GW, Lany S. Convergence of density and hybrid functional defect calculations for compound semiconductors Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.115201 |
0.576 |
|
| 2013 |
Buckeridge J, Scanlon DO, Walsh A, Catlow CRA, Sokol AA. Dynamical response and instability in ceria under lattice expansion Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.214304 |
0.493 |
|
| 2013 |
Scanlon DO. Defect engineering of BaSnO3 for high-performance transparent conducting oxide applications Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.161201 |
0.302 |
|
| 2013 |
Scanlon DO, Regoutz A, Egdell RG, Morgan DJ, Watson GW. Band gap engineering of In2O3 by alloying with Tl2O3 Applied Physics Letters. 103. DOI: 10.1063/1.4860986 |
0.617 |
|
| 2013 |
Rajpalke MK, Linhart WM, Birkett M, Yu KM, Scanlon DO, Buckeridge J, Jones TS, Ashwin MJ, Veal TD. Growth and properties of GaSbBi alloys Applied Physics Letters. 103. DOI: 10.1063/1.4824077 |
0.37 |
|
| 2013 |
Sallis S, Scanlon DO, Chae SC, Quackenbush NF, Fischer DA, Woicik JC, Guo JH, Cheong SW, Piper LFJ. La-doped BaSnO3 - Degenerate perovskite transparent conducting oxide: Evidence from synchrotron x-ray spectroscopy Applied Physics Letters. 103. DOI: 10.1063/1.4816511 |
0.427 |
|
| 2013 |
Feldberg N, Aldous JD, Linhart WM, Phillips LJ, Durose K, Stampe PA, Kennedy RJ, Scanlon DO, Vardar G, Field RL, Jen TY, Goldman RS, Veal TD, Durbin SM. Growth, disorder, and physical properties of ZnSnN2 Applied Physics Letters. 103. DOI: 10.1063/1.4816438 |
0.335 |
|
| 2013 |
Bosco JP, Scanlon DO, Watson GW, Lewis NS, Atwater HA. Energy-band alignment of II-VI/Zn3P2 heterojunctions from x-ray photoemission spectroscopy Journal of Applied Physics. 113. DOI: 10.1063/1.4807646 |
0.597 |
|
| 2013 |
Allen JP, Scanlon DO, Piper LFJ, Watson GW. Understanding the defect chemistry of tin monoxide Journal of Materials Chemistry C. 1: 8194-8208. DOI: 10.1039/C3Tc31863J |
0.638 |
|
| 2013 |
Walsh A, Scanlon DO. Electron excess in alkaline earth sub-nitrides: 2D electron gas or 3D electride? Journal of Materials Chemistry C. 1: 3525-3528. DOI: 10.1039/C3Tc30690A |
0.529 |
|
| 2013 |
Keating PRL, Scanlon DO, Watson GW. Computational testing of trivalent dopants in CeO2 for improved high-κ dielectric behaviour Journal of Materials Chemistry C. 1: 1093-1098. DOI: 10.1039/C2Tc00385F |
0.614 |
|
| 2013 |
Walsh A, Kehoe AB, Temple DJ, Watson GW, Scanlon DO. PbO2: From semi-metal to transparent conducting oxide by defect chemistry control Chemical Communications. 49: 448-450. DOI: 10.1039/c2cc35928f |
0.586 |
|
| 2013 |
Allen JP, Carey JJ, Walsh A, Scanlon DO, Watson GW. Electronic structures of antimony oxides Journal of Physical Chemistry C. 117: 14759-14769. DOI: 10.1021/Jp4026249 |
0.703 |
|
| 2013 |
Piper LFJ, Quackenbush NF, Sallis S, Scanlon DO, Watson GW, Nam KW, Yang XQ, Smith KE, Omenya F, Chernova NA, Whittingham MS. Elucidating the nature of pseudo Jahn-Teller distortions in Li xMnPO4: Combining density functional theory with soft and hard X-ray spectroscopy Journal of Physical Chemistry C. 117: 10383-10396. DOI: 10.1021/Jp3122374 |
0.574 |
|
| 2013 |
Quackenbush NF, Allen JP, Scanlon DO, Sallis S, Hewlett JA, Nandur AS, Chen B, Smith KE, Weiland C, Fischer DA, Woicik JC, White BE, Watson GW, Piper LFJ. Origin of the bipolar doping behavior of SnO from X-ray spectroscopy and density functional theory Chemistry of Materials. 25: 3114-3123. DOI: 10.1021/Cm401343A |
0.617 |
|
| 2012 |
Scanlon DO, King PD, Singh RP, de la Torre A, Walker SM, Balakrishnan G, Baumberger F, Catlow CR. Controlling bulk conductivity in topological insulators: key role of anti-site defects. Advanced Materials (Deerfield Beach, Fla.). 24: 2154-8. PMID 22430985 DOI: 10.1002/Adma.201200187 |
0.337 |
|
| 2012 |
Scanlon DO, Watson GW. Scanlon and Watson reply Physical Review Letters. 108. DOI: 10.1103/Physrevlett.108.219704 |
0.439 |
|
| 2012 |
Scanlon DO, Watson GW. Erratum: Uncovering the Complex Behavior of Hydrogen inCu2O[Phys. Rev. Lett.106, 186403 (2011)] Physical Review Letters. 108. DOI: 10.1103/Physrevlett.108.129901 |
0.452 |
|
| 2012 |
Scanlon DO, Walsh A. Bandgap engineering of ZnSnP 2 for high-efficiency solar cells Applied Physics Letters. 100. DOI: 10.1063/1.4730375 |
0.522 |
|
| 2012 |
Walsh A, Catlow CRA, Galvelis R, Scanlon DO, Schiffmann F, Sokol AA, Woodley SM. Prediction on the existence and chemical stability of cuprous fluoride Chemical Science. 3: 2565-2569. DOI: 10.1039/C2Sc20321A |
0.544 |
|
| 2012 |
Scanlon DO, Watson GW. On the possibility of p-type SnO2 Journal of Materials Chemistry. 22: 25236-25245. DOI: 10.1039/C2Jm34352E |
0.588 |
|
| 2012 |
Temple DJ, Kehoe AB, Allen JP, Watson GW, Scanlon DO. Geometry, electronic structure, and bonding in CuMCh 2(M = Sb, Bi; Ch = S, Se): Alternative solar cell absorber materials? Journal of Physical Chemistry C. 116: 7334-7340. DOI: 10.1021/Jp300862V |
0.589 |
|
| 2012 |
Keating PRL, Scanlon DO, Morgan BJ, Galea NM, Watson GW. Analysis of intrinsic defects in CeO 2 using a koopmans-like GGA+ U approach Journal of Physical Chemistry C. 116: 2443-2452. DOI: 10.1021/Jp2080034 |
0.567 |
|
| 2011 |
Scanlon DO, Kehoe AB, Watson GW, Jones MO, David WI, Payne DJ, Egdell RG, Edwards PP, Walsh A. Nature of the band gap and origin of the conductivity of PbO2 revealed by theory and experiment. Physical Review Letters. 107: 246402. PMID 22243014 DOI: 10.1103/Physrevlett.107.246402 |
0.71 |
|
| 2011 |
Burbano M, Scanlon DO, Watson GW. Sources of conductivity and doping limits in CdO from hybrid density functional theory. Journal of the American Chemical Society. 133: 15065-72. PMID 21854046 DOI: 10.1021/Ja204639Y |
0.619 |
|
| 2011 |
Godinho KG, Morgan BJ, Allen JP, Scanlon DO, Watson GW. Chemical bonding in copper-based transparent conducting oxides: CuMO 2 (M = In, Ga, Sc) Journal of Physics Condensed Matter. 23. PMID 21813950 DOI: 10.1088/0953-8984/23/33/334201 |
0.604 |
|
| 2011 |
Scanlon DO, Watson GW. Uncovering the complex behavior of hydrogen in Cu2O. Physical Review Letters. 106: 186403. PMID 21635109 DOI: 10.1103/Physrevlett.106.186403 |
0.525 |
|
| 2011 |
Scanlon DO, Watson GW. Band gap anomalies of the ZnM2(III)O4 (M(III)=Co, Rh, Ir) spinels. Physical Chemistry Chemical Physics : Pccp. 13: 9667-75. PMID 21494718 DOI: 10.1039/C0Cp02562C |
0.618 |
|
| 2011 |
Scanlon DO, Morgan BJ, Watson GW. The origin of the enhanced oxygen storage capacity of Ce(1-x)(Pd/Pt)(x)O2. Physical Chemistry Chemical Physics : Pccp. 13: 4279-84. PMID 21249239 DOI: 10.1039/C0Cp01635G |
0.526 |
|
| 2011 |
Morgan BJ, Scanlon DO, Watson GW. Comment on “Generalized Gradient Approximation +UStudy for Metallization Mechanism of Niobium-Doped Anatase Titanium Dioxide” Japanese Journal of Applied Physics. 50: 069101. DOI: 10.1143/Jjap.50.069101 |
0.528 |
|
| 2011 |
Scanlon DO, Kehoe AB, Watson GW, Jones MO, David WIF, Payne DJ, Egdell RG, Edwards PP, Walsh A. Nature of the band gap and origin of the conductivity of PbO 2 revealed by theory and experiment Physical Review Letters. 107. DOI: 10.1103/PhysRevLett.107.246402 |
0.522 |
|
| 2011 |
Scanlon DO, Watson GW. Uncovering the complex behavior of hydrogen in Cu2O Physical Review Letters. 106. DOI: 10.1103/PhysRevLett.106.186403 |
0.388 |
|
| 2011 |
Allen JP, Scanlon DO, Watson GW. Electronic structures of silver oxides Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.115141 |
0.606 |
|
| 2011 |
Kehoe AB, Scanlon DO, Watson GW. Nature of the band gap of Tl2O3 Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.233202 |
0.564 |
|
| 2011 |
Allen JP, Scanlon DO, Watson GW. Comparison of the defective pyrochlore and ilmenite polymorphs of AgSbO 3 using GGA and hybrid DFT Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.035207 |
0.641 |
|
| 2011 |
Scanlon DO, Watson GW. Understanding the p-type defect chemistry of CuCrO 2 Journal of Materials Chemistry. 21: 3655-3663. DOI: 10.1039/C0Jm03852K |
0.597 |
|
| 2011 |
Scanlon DO, Watson GW. Band gap anomalies of the ZnM 2 IIIO 4 (M III = Co, Rh, Ir) spinels Physical Chemistry Chemical Physics. 13: 9667-9675. DOI: 10.1039/c0cp02562c |
0.492 |
|
| 2011 |
Scanlon DO, Morgan BJ, Watson GW. The origin of the enhanced oxygen storage capacity of Ce 1-x(Pd/Pt) xO 2 Physical Chemistry Chemical Physics. 13: 4279-4284. DOI: 10.1039/c0cp01635g |
0.425 |
|
| 2011 |
Allen JP, Scanlon DO, Parker SC, Watson GW. Tin monoxide: Structural prediction from first principles calculations with van der Waals corrections Journal of Physical Chemistry C. 115: 19916-19924. DOI: 10.1021/Jp205148Y |
0.642 |
|
| 2011 |
Burbano M, Scanlon DO, Watson GW. Sources of conductivity and doping limits in CdO from hybrid density functional theory Journal of the American Chemical Society. 133: 15065-15072. DOI: 10.1021/ja204639y |
0.497 |
|
| 2011 |
Kehoe AB, Scanlon DO, Watson GW. Role of lattice distortions in the oxygen storage capacity of divalently doped ceo 2 Chemistry of Materials. 23: 4464-4468. DOI: 10.1021/Cm201617D |
0.573 |
|
| 2010 |
Scanlon DO, Godinho KG, Morgan BJ, Watson GW. Understanding conductivity anomalies in Cu(I)-based delafossite transparent conducting oxides: Theoretical insights. The Journal of Chemical Physics. 132: 024707. PMID 20095694 DOI: 10.1063/1.3290815 |
0.607 |
|
| 2010 |
Allen JP, Scanlon DO, Watson GW. Electronic structure of mixed-valence silver oxide AgO from hybrid density-functional theory Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.161103 |
0.572 |
|
| 2010 |
Scanlon DO, Watson GW. Stability, geometry, and electronic structure of an alternative I-III-VI2 material, CuScS2: A hybrid density functional theory analysis Applied Physics Letters. 97. DOI: 10.1063/1.3491179 |
0.59 |
|
| 2010 |
Godinho KG, Carey JJ, Morgan BJ, Scanlon DO, Watson GW. Understanding conductivity in SrCu2O2: Stability, geometry and electronic structure of intrinsic defects from first principles Journal of Materials Chemistry. 20: 1086-1096. DOI: 10.1039/B921061J |
0.632 |
|
| 2010 |
Scanlon DO, Watson GW. Conductivity limits in CuAlO2 from screened-hybrid density functional theory Journal of Physical Chemistry Letters. 1: 3195-3199. DOI: 10.1021/Jz1011725 |
0.623 |
|
| 2010 |
Scanlon DO, Watson GW. Undoped n-type Cu2O: Fact or fiction? Journal of Physical Chemistry Letters. 1: 2582-2585. DOI: 10.1021/Jz100962N |
0.557 |
|
| 2010 |
Scanlon DO, Watson GW, Payne DJ, Atkinson GR, Egdell RG, Law DSL. Theoretical and experimental study of the electronic structures of MoO 3 and MoO2 Journal of Physical Chemistry C. 114: 4636-4645. DOI: 10.1021/Jp9093172 |
0.601 |
|
| 2010 |
Scanlon DO, Watson GW. ChemInform Abstract: (Cu2S2)(Sr3Se2O5) â A Layered, Direct Band Gap, p-Type Transparent Conducting Oxychalcogenide: A Theoretical Analysis. Cheminform. 41. DOI: 10.1002/chin.201005001 |
0.517 |
|
| 2009 |
Keating PR, Scanlon DO, Watson GW. Intrinsic ferromagnetism in CeO(2): dispelling the myth of vacancy site localization mediated superexchange. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 405502. PMID 21832418 DOI: 10.1088/0953-8984/21/40/405502 |
0.543 |
|
| 2009 |
Scanlon DO, Morgan BJ, Watson GW, Walsh A. Acceptor levels in p-type Cu(2)O: rationalizing theory and experiment. Physical Review Letters. 103: 096405. PMID 19792817 DOI: 10.1103/Physrevlett.103.096405 |
0.651 |
|
| 2009 |
Scanlon DO, Morgan BJ, Watson GW. Modeling the polaronic nature of p-type defects in Cu2O: the failure of GGA and GGA + U. The Journal of Chemical Physics. 131: 124703. PMID 19791908 DOI: 10.1063/1.3231869 |
0.583 |
|
| 2009 |
Galea NM, Scanlon DO, Martin P, Watson GW, Sherwood P. Testing interatomic potentials for QM/MM embedded-cluster calculations on ceria surfaces E-Journal of Surface Science and Nanotechnology. 7: 413-420. DOI: 10.1380/Ejssnt.2009.413 |
0.552 |
|
| 2009 |
Scanlon DO, Walsh A, Morgan BJ, Watson GW. Competing defect mechanisms and hydrogen adsorption on Li-doped MgO low index surfaces: A DFT+U study? E-Journal of Surface Science and Nanotechnology. 7: 395-404. DOI: 10.1380/Ejssnt.2009.395 |
0.633 |
|
| 2009 |
Morgan BJ, Scanlon DO, Watson GW. The use of the "+U" correction in describing defect states at metal oxide surfaces: oxygen vacancies on CeO2 and TiO2, and Li-doping of MgO? E-Journal of Surface Science and Nanotechnology. 7: 389-394. DOI: 10.1380/Ejssnt.2009.389 |
0.601 |
|
| 2009 |
Scanlon DO, Morgan BJ, Watson GW, Walsh A. Acceptor levels in p-type Cu2O: Rationalizing theory and Experiment Physical Review Letters. 103. DOI: 10.1103/PhysRevLett.103.096405 |
0.46 |
|
| 2009 |
Shin D, Foord JS, Payne DJ, Arnold T, Aston DJ, Egdell RG, Godinho KG, Scanlon DO, Morgan BJ, Watson GW, Mugnier E, Yaicle C, Rougier A, Colakerol L, Glans PA, et al. Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy Physical Review B. 80. DOI: 10.1103/Physrevb.80.233105 |
0.577 |
|
| 2009 |
Arnold T, Payne DJ, Bourlange A, Hu JP, Egdell RG, Piper LFJ, Colakerol L, De Masi A, Glans PA, Learmonth T, Smith KE, Guo J, Scanlon DO, Walsh A, Morgan BJ, et al. X-ray spectroscopic study of the electronic structure of CuCrO2 Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.075102 |
0.645 |
|
| 2009 |
Scanlon DO, Walsh A, Morgan BJ, Watson GW, Payne DJ, Egdell RG. Effect of Cr substitution on the electronic structure of CuAl 1-xCrxO2 Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.035101 |
0.656 |
|
| 2009 |
Galea NM, Scanlon DO, Morgan BJ, Watson GW. A GGA +U study of the reduction of ceria surfaces and their partial reoxidation through NO2 adsorption Molecular Simulation. 35: 577-583. DOI: 10.1080/08927020802707001 |
0.545 |
|
| 2009 |
Morgan BJ, Scanlon DO, Watson GW. Small polarons in Nb- and Ta-doped rutile and anatase TiO2 Journal of Materials Chemistry. 19: 5175-5178. DOI: 10.1039/B905028K |
0.617 |
|
| 2009 |
Scanlon DO, Galea NM, Morgan BJ, Watson GW. Reactivity on the (110) Surface of ceria: A GGA+U study of surface reduction and the adsorption of CO and NO2 Journal of Physical Chemistry C. 113: 11095-11103. DOI: 10.1021/Jp9021085 |
0.519 |
|
| 2009 |
Scanlon DO, Watson GW. (Cu2S2)(Sr3Sc2O5)-A layered, direct band gap, p-type transparent conducting oxychalcogenide: A theoretical analysis Chemistry of Materials. 21: 5435-5442. DOI: 10.1021/Cm902260B |
0.605 |
|
| 2009 |
Scanlon DO, Walsh A, Watson GW. Understanding the p-type conduction properties of the transparent conducting oxide cuBO2: A density functional theoryanalysis Chemistry of Materials. 21: 4568-4576. DOI: 10.1021/Cm9015113 |
0.71 |
|
| 2009 |
Scanlon DO, Walsh A, Watson GW. ChemInform Abstract: Understanding the p-Type Conduction Properties of the Transparent Conducting Oxide CuBO2: A Density Functional Theory Analysis. Cheminform. 40: no-no. DOI: 10.1002/chin.200951013 |
0.517 |
|
| 2008 |
Scanlon DO, Walsh A, Morgan BJ, Watson GW. An ab initio study of reduction of V2O5 through the formation of oxygen vacancies and Li intercalation Journal of Physical Chemistry C. 112: 9903-9911. DOI: 10.1021/Jp711334F |
0.67 |
|
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