| Year |
Citation |
Score |
| 2024 |
Kim HJ, Lee G, Oh SV, Stampfl C, Soon A. Recalibrating the Experimentally Derived Structure of the Metastable Surface Oxide on Copper via Machine Learning-Accelerated Global Optimization. Acs Nano. PMID 38264984 DOI: 10.1021/acsnano.3c12249 |
0.596 |
|
| 2020 |
Obeid MM, Stampfl C, Bafekry A, Guan Z, Jappor HR, Nguyen CV, Naseri M, Hoat DM, Hieu NN, Krauklis AE, Vu TV, Gogova D. First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate. Physical Chemistry Chemical Physics : Pccp. PMID 32589177 DOI: 10.1039/D0Cp02007A |
0.365 |
|
| 2020 |
Bafekry A, Stampfl C, Ghergherehchi M. Strain, electric-field and functionalization induced widely tunable electronic properties in MoS2/BC3 , /C3N and /C3N4 van der Waals heterostructures. Nanotechnology. PMID 32272455 DOI: 10.1088/1361-6528/Ab884E |
0.311 |
|
| 2020 |
Bafekry A, Stampfl C, Akgenc B, Mortazavi B, Ghergherehchi M, Nguyen CV. Embedding of atoms into the nanopore sites of the CN and CN porous carbon nitride monolayers with tunable electronic properties. Physical Chemistry Chemical Physics : Pccp. PMID 32149297 DOI: 10.1039/D0Cp00093K |
0.347 |
|
| 2020 |
Bafekry A, Stampfl C, Peeters FM. Dirac half-metallicity of Thin PdCl Nanosheets: Investigation of the Effects of External Fields, Surface Adsorption and Defect Engineering on the Electronic and Magnetic Properties. Scientific Reports. 10: 213. PMID 31937833 DOI: 10.1038/S41598-019-57353-3 |
0.367 |
|
| 2020 |
Bafekry A, Stampfl C, Akgenc B, Ghergherehchi M. Control of CN and CN carbon nitride nanosheets' electronic and magnetic properties through embedded atoms. Physical Chemistry Chemical Physics : Pccp. PMID 31916563 DOI: 10.1039/C9Cp06031F |
0.369 |
|
| 2020 |
Zhang P, Xu X, Song E, Hou X, Yang X, Mi J, Huang J, Stampfl C. Transition metal-doped α-borophene as potential oxygen and hydrogen evolution electrocatalyst: A density functional theory study Catalysis Communications. 144: 106090. DOI: 10.1016/J.Catcom.2020.106090 |
0.34 |
|
| 2020 |
Berhane AM, Baldwin CG, Liang K, Moshkani M, Lustri C, Downes JE, Stampfl C, Mildren RP. Morphogenesis of mesoscopic surface patterns formed in polarized two-photon etching of diamond Carbon. DOI: 10.1016/J.Carbon.2020.09.029 |
0.359 |
|
| 2020 |
Fronzi M, Bishop J, Martin AA, Assadi M, Regan B, Stampfl C, Aharonovich I, Ford MJ, Toth M. Role of knock-on in electron beam induced etching of diamond Carbon. 164: 51-58. DOI: 10.1016/J.Carbon.2020.03.039 |
0.314 |
|
| 2020 |
Bafekry A, Stampfl C, Ghergherehchi M, Farjami Shayesteh S. A first-principles study of the effects of atom impurities, defects, strain, electric field and layer thickness on the electronic and magnetic properties of the C2N nanosheet Carbon. 157: 371-384. DOI: 10.1016/J.Carbon.2019.10.038 |
0.349 |
|
| 2020 |
Bafekry A, Nguyen C, Stampfl C, Akgenc B, Ghergherehchi M. Oxygen Vacancies in the Single Layer of Ti2CO2 MXene: Effects of Gating Voltage, Mechanical Strain and Atomic Impurities Physica Status Solidi B-Basic Solid State Physics. DOI: 10.1002/Pssb.202000343 |
0.301 |
|
| 2019 |
Bafekry A, Stampfl C, Shayesteh S. A first-principles study of C3N nanostructures: Control and engineering of the electronic and magnetic properties of nanosheets, tubes and ribbons. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 31705615 DOI: 10.1002/Cphc.201900852 |
0.352 |
|
| 2019 |
Zhang P, Yang X, Hou X, Xu X, Xiao B, Huang J, Stampfl C. Metal-bipyridine complexes as electrocatalysts for the reduction of CO: a density functional theory study. Physical Chemistry Chemical Physics : Pccp. PMID 31637382 DOI: 10.1039/C9Cp02916H |
0.334 |
|
| 2019 |
Haidar EA, Tawfik SA, Stampfl C, Hirao K, Yoshizawa K, El-Demerdash SH, Nakajima T, El-Nahas AM. Electronic transport investigation of redox-switching of azulenequinones/hydroquinones via first-principles studies. Physical Chemistry Chemical Physics : Pccp. PMID 31378789 DOI: 10.1039/C9Cp03233A |
0.313 |
|
| 2019 |
Weston L, Downes JE, Baldwin CG, Granados E, Tawfik SA, Cui XY, Stampfl C, Mildren RP. Photochemical Etching of Carbonyl Groups from a Carbon Matrix: The (001) Diamond Surface. Physical Review Letters. 122: 016802. PMID 31012670 DOI: 10.1103/Physrevlett.122.016802 |
0.399 |
|
| 2019 |
Haque E, Hossain MA, Stampfl C. First-principles prediction of phonon-mediated superconductivity in XBC (X = Mg, Ca, Sr, Ba). Physical Chemistry Chemical Physics : Pccp. PMID 30968874 DOI: 10.1039/C8Cp07634K |
0.307 |
|
| 2019 |
Lee T, Lee YJ, Palotás K, Lee G, Stampfl C, Soon A. Polymorphic expressions of ultrathin oxidic layers of Mo on Au(111). Nanoscale. PMID 30869099 DOI: 10.1039/C8Nr10278C |
0.624 |
|
| 2019 |
Wang J, Xue M, Liu H, Yuan M, Bai D, Tang G, Zhang J, Stampfl C. Stability and band offsets between GaAs semiconductor and CeO2 gate dielectric Aip Advances. 9: 025117. DOI: 10.1063/1.5049391 |
0.464 |
|
| 2019 |
Wu P, Tao Y, Ling H, Chen Z, Ding J, Zeng X, Liao X, Stampfl C, Huang J. Cooperation of Ni and CaO at Interface for CO2 Reforming of CH4: A Combined Theoretical and Experimental Study Acs Catalysis. 9: 10060-10069. DOI: 10.1021/Acscatal.9B02286 |
0.314 |
|
| 2019 |
Chu Z, Stampfl C, Duan X. Boron-Doped g-C6N6 Layer as a Metal-Free Photoelectrocatalyst for N2 Reduction Reaction The Journal of Physical Chemistry C. 123: 28739-28743. DOI: 10.1021/Acs.Jpcc.9B08169 |
0.309 |
|
| 2019 |
Collinge G, Groden K, Stampfl C, McEwen J. Formulation of Multicomponent Lattice Gas Model Cluster Expansions Parameterized on Ab Initio Data: An Introduction to the Ab Initio Mean-Field Augmented Lattice Gas Modeling Code The Journal of Physical Chemistry C. 124: 2923-2938. DOI: 10.1021/Acs.Jpcc.9B05814 |
0.315 |
|
| 2019 |
Wang J, Chen X, Zhang A, Bai D, Tang G, Zhang J, Stampfl C. Band alignment of nonpolar (101¯0) ZnO on (112) LaAlO3 Solid State Communications. 287: 23-26. DOI: 10.1016/J.Ssc.2018.10.002 |
0.384 |
|
| 2019 |
Calderón LA, Montoya A, Soon A, Stampfl C. Non-dissociative adsorption of glycerol on the (111) surface of Ni and Pt-based metallic systems: Hints on reforming activity from d-band center Molecular Catalysis. 474: 110412. DOI: 10.1016/J.Mcat.2019.110412 |
0.63 |
|
| 2019 |
Liu H, Wu P, Li H, Chen Z, Wang L, Zeng X, Zhu Y, Jiang Y, Liao X, Haynes BS, Ye J, Stampfl C, Huang J. Unravelling the effects of layered supports on Ru nanoparticles for enhancing N2 reduction in photocatalytic ammonia synthesis Applied Catalysis B: Environmental. 259: 118026. DOI: 10.1016/J.Apcatb.2019.118026 |
0.304 |
|
| 2018 |
Liu H, Wang H, Liu Z, Ling H, Zhou C, Li H, Stampfl C, Liao X, Wang J, Shi X, Huang J. Confinement Impact for the Dynamics of Supported Metal Nanocatalyst. Small (Weinheim An Der Bergstrasse, Germany). e1801586. PMID 29883045 DOI: 10.1002/Smll.201801586 |
0.306 |
|
| 2018 |
Fronzi M, Tawfik SA, Stampfl C, Ford MJ. Magnetic properties of stoichiometric and defective Co9S8. Physical Chemistry Chemical Physics : Pccp. PMID 29308464 DOI: 10.1039/C7Cp06637F |
0.321 |
|
| 2018 |
Bai D, Liu H, Zhang A, Wang J, Tang G, Zhang J, Stampfl C. Effect of an Al-adlayer in the c-plane ZnO/AlN heterostructure Epl (Europhysics Letters). 122: 26003. DOI: 10.1209/0295-5075/122/26003 |
0.378 |
|
| 2018 |
Tawfik SA, Gould T, Stampfl C, Ford MJ. Evaluation of van der Waals density functionals for layered materials Physical Review Materials. 2: 34005. DOI: 10.1103/Physrevmaterials.2.034005 |
0.305 |
|
| 2018 |
Wang J, Chen X, Wu S, Tang G, Zhang J, Stampfl C. Stability and band offsets between c-plane ZnO semiconductor and LaAlO3 gate dielectric Journal of Applied Physics. 123: 115302. DOI: 10.1063/1.5001875 |
0.456 |
|
| 2018 |
Zhang P, Yang X, Gao W, Hou X, Mi J, Liu L, Huang J, Dong M, Stampfl C. First-principles design of bifunctional oxygen reduction and evolution catalysts through bimetallic centers in metal–organic frameworks Catalysis Science & Technology. 8: 3666-3674. DOI: 10.1039/C8Cy00675J |
0.328 |
|
| 2018 |
Tawfik SA, Reimers JR, Stampfl C, Ford MJ. van der Waals Forces Control the Internal Chemical Structure of Monolayers within the Lamellar Materials CuInP2S6 and CuBiP2Se6 The Journal of Physical Chemistry C. 122: 22675-22687. DOI: 10.1021/Acs.Jpcc.8B05349 |
0.313 |
|
| 2018 |
Wang J, Chen X, Wu S, Bai D, Tang G, Zhang J, Stampfl C. Stability and band offsets of nonpolar (112¯0) ZnO on (001) LaAlO 3 Vacuum. 150: 29-34. DOI: 10.1016/J.Vacuum.2018.01.002 |
0.435 |
|
| 2018 |
Bray J, Collinge G, Stampfl C, Wang Y, McEwen J. Predicting the Electric Field Effect on the Lateral Interactions Between Adsorbates: O/Fe(100) from First Principles Topics in Catalysis. 61: 763-775. DOI: 10.1007/S11244-018-0944-Z |
0.313 |
|
| 2017 |
Mananghaya MR, Santos GN, Yu D, Stampfl C. Hydrogen Adsorption on Nearly Zigzag-Edged Nanoribbons: A Density Functional Theory Study. Scientific Reports. 7: 15727. PMID 29146977 DOI: 10.1038/S41598-017-14189-Z |
0.399 |
|
| 2017 |
Tawfik SA, Ali S, Fronzi M, Kianinia M, Tran TT, Stampfl C, Aharonovich I, Toth M, Ford MJ. First-principles investigation of quantum emission from hBN defects. Nanoscale. PMID 28876012 DOI: 10.1039/C7Nr04270A |
0.328 |
|
| 2017 |
Kim CE, Yoo SH, Bahr DF, Stampfl C, Soon A. Uncovering the Thermo-Kinetic Origins of Phase Ordering in Mixed-Valence Antimony Tetroxide by First-Principles Modeling. Inorganic Chemistry. PMID 28509553 DOI: 10.1021/Acs.Inorgchem.7B00661 |
0.675 |
|
| 2017 |
Weston L, Janotti A, Cui XY, Stampfl C, Van de Walle CG. Acceptor doping in the proton conductor SrZrO3. Physical Chemistry Chemical Physics : Pccp. PMID 28425542 DOI: 10.1039/C7Cp01471F |
0.314 |
|
| 2017 |
Wang J, Pu L, Han Y, Wu S, Tang G, Guo S, Stampfl C. Stability and band offsets between Si and LaAlO3 The European Physical Journal B. 90. DOI: 10.1140/Epjb/E2017-80168-6 |
0.396 |
|
| 2017 |
Kratzer P, Tawfik SA, Cui XY, Stampfl C. Detection of adsorbed transition-metal porphyrins by spin-dependent conductance of graphene nanoribbon Rsc Advances. 7: 29112-29121. DOI: 10.1039/C7Ra04594H |
0.329 |
|
| 2017 |
Bai D, Wang J, Stampfl C, Wu S, Liu H, Tang G. Band offsets in La2O3/InN heterostructures Solid State Communications. 265: 19-22. DOI: 10.1016/J.Ssc.2017.07.022 |
0.409 |
|
| 2016 |
Tawfik SA, Cui XY, Ringer SP, Stampfl C. Endohedral metallofullerenes, M@C60 (M = Ca, Na, Sr): selective adsorption and sensing of open-shell NOx gases. Physical Chemistry Chemical Physics : Pccp. PMID 27426253 DOI: 10.1039/C6Cp02249A |
0.326 |
|
| 2016 |
Tawfik SA, Cui XY, Ringer SP, Stampfl C. Enhanced oscillatory rectification and negative differential resistance in pentamantane diamondoid-cumulene systems. Nanoscale. PMID 26794415 DOI: 10.1039/C5Nr07467C |
0.318 |
|
| 2016 |
Tawfik SA, Cui XY, Ringer SP, Stampfl C. Communication: Electrical rectification of C59N: The role of anchoring and doping sites. The Journal of Chemical Physics. 144: 021101. PMID 26772547 DOI: 10.1063/1.4940142 |
0.313 |
|
| 2016 |
Weston L, Cui XY, Ringer SP, Stampfl C. Mechanism for strong magnetoelectric coupling in dilute magnetic ferroelectrics Physical Review B. 94. DOI: 10.1103/Physrevb.94.184419 |
0.324 |
|
| 2016 |
Weston L, Cui XY, Ringer SP, Stampfl C. Multiferroic crossover in perovskite oxides Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.165210 |
0.309 |
|
| 2015 |
Kim CE, Soon A, Stampfl C. Unraveling the origins of conduction band valley degeneracies in Mg2Si1-xSnx thermoelectrics. Physical Chemistry Chemical Physics : Pccp. PMID 26650401 DOI: 10.1039/C5Cp06163F |
0.545 |
|
| 2015 |
Tawfik SA, Cui XY, Ringer SP, Stampfl C. High On/Off Conductance Switching Ratio via H-Tautomerization in Quinone. Journal of Chemical Theory and Computation. 11: 4154-8. PMID 26575910 DOI: 10.1021/Acs.Jctc.5B00505 |
0.301 |
|
| 2015 |
Jones TE, Rocha TC, Knop-Gericke A, Stampfl C, Schlögl R, Piccinin S. Thermodynamic and spectroscopic properties of oxygen on silver under an oxygen atmosphere. Physical Chemistry Chemical Physics : Pccp. 17: 9288-312. PMID 25760562 DOI: 10.1039/C5Cp00342C |
0.432 |
|
| 2015 |
Abdulkader Tawfik S, Cui XY, Carter DJ, Ringer SP, Stampfl C. Sensing sulfur-containing gases using titanium and tin decorated zigzag graphene nanoribbons from first-principles. Physical Chemistry Chemical Physics : Pccp. 17: 6925-32. PMID 25679359 DOI: 10.1039/C4Cp05919K |
0.353 |
|
| 2015 |
Weston L, Janotti A, Cui XY, Himmetoglu B, Stampfl C, Van De Walle CG. Structural and electronic properties of SrZrO3 and Sr(Ti,Zr) O3 alloys Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.085201 |
0.313 |
|
| 2015 |
Jones TE, Rocha TCR, Knop-Gericke A, Stampfl C, Schlögl R, Piccinin S. Insights into the Electronic Structure of the Oxygen Species Active in Alkene Epoxidation on Silver Acs Catalysis. 5: 5846-5850. DOI: 10.1021/Acscatal.5B01543 |
0.365 |
|
| 2015 |
Lyle MJ, Warschkow O, Delley B, Stampfl C. Molecular adsorption and methanol synthesis on the oxidized Cu/ZnO(0001) surface Surface Science. 641: 97-104. DOI: 10.1016/J.Susc.2015.05.010 |
0.414 |
|
| 2014 |
Szlachetko J, Sá J, Nachtegaal M, Hartfelder U, Dousse JC, Hoszowska J, Abreu Fernandes DL, Shi H, Stampfl C. Real Time Determination of the Electronic Structure of Unstable Reaction Intermediates during Au2O3 Reduction. The Journal of Physical Chemistry Letters. 5: 80-4. PMID 26276184 DOI: 10.1021/Jz402309S |
0.332 |
|
| 2014 |
Richter NA, Kim CE, Stampfl C, Soon A. Re-visiting the O/Cu(111) system--when metastable surface oxides could become an issue! Physical Chemistry Chemical Physics : Pccp. 16: 26735-40. PMID 25371061 DOI: 10.1039/C4Cp04473H |
0.656 |
|
| 2014 |
Jones TE, Rocha TC, Knop-Gericke A, Stampfl C, Schlögl R, Piccinin S. Adsorbate induced vacancy formation on silver surfaces. Physical Chemistry Chemical Physics : Pccp. 16: 9002-14. PMID 24695725 DOI: 10.1039/C4Cp00778F |
0.462 |
|
| 2014 |
Li C, Winzer T, Walsh A, Yan B, Stampfl C, Soon A. Stacking-dependent energetics and electronic structure of ultrathin polymorphic V2 VI3 topological insulator nanofilms Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.075438 |
0.61 |
|
| 2014 |
Fronzi M, Piccinin S, Delley B, Traversa E, Stampfl C. CHx adsorption (x = 1-4) and thermodynamic stability on the CeO2(111) surface: A first-principles investigation Rsc Advances. 4: 12245-12251. DOI: 10.1039/C4Ra01224K |
0.465 |
|
| 2013 |
Zhang RQ, Kim CE, Yu BD, Stampfl C, Soon A. Mitigation of CO poisoning on functionalized Pt-TiN surfaces. Physical Chemistry Chemical Physics : Pccp. 15: 19450-6. PMID 24126922 DOI: 10.1039/C3Cp53334D |
0.628 |
|
| 2013 |
Jones TE, Piccinin S, Stampfl C. Relativity and the nobility of gold Materials Chemistry and Physics. 141: 14-17. DOI: 10.1016/J.Matchemphys.2013.04.049 |
0.39 |
|
| 2013 |
Soon A, Wallman J, Delley B, Stampfl C. Early transition metal dopants in cuprous oxide: To spin or not to spin Current Applied Physics. 13: 1707-1712. DOI: 10.1016/J.Cap.2013.06.019 |
0.567 |
|
| 2012 |
Lee T, Delley B, Stampfl C, Soon A. Environment-dependent nanomorphology of TiN: the influence of surface vacancies. Nanoscale. 4: 5183-8. PMID 22806505 DOI: 10.1039/C2Nr31266B |
0.638 |
|
| 2012 |
Zhang RQ, Lee TH, Yu BD, Stampfl C, Soon A. The role of titanium nitride supports for single-atom platinum-based catalysts in fuel cell technology. Physical Chemistry Chemical Physics : Pccp. 14: 16552-7. PMID 22772941 DOI: 10.1039/C2Cp41392B |
0.632 |
|
| 2012 |
Carter DJ, Fuchs M, Stampfl C. Vacancies in GaN bulk and nanowires: effect of self-interaction corrections. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 255801. PMID 22641024 DOI: 10.1088/0953-8984/24/25/255801 |
0.345 |
|
| 2012 |
Zhang RQ, Kim CE, Delley B, Stampfl C, Soon A. A first-principles study of ultrathin nanofilms of MgO-supported TiN. Physical Chemistry Chemical Physics : Pccp. 14: 2462-7. PMID 22249386 DOI: 10.1039/C2Cp23534J |
0.646 |
|
| 2012 |
Lee TI, Lee SH, Kim YD, Jang WS, Oh JY, Baik HK, Stampfl C, Soon A, Myoung JM. Playing with dimensions: rational design for heteroepitaxial p-n junctions. Nano Letters. 12: 68-76. PMID 22149346 DOI: 10.1021/Nl202963Z |
0.599 |
|
| 2012 |
Cui XY, Soon A, Phillips AE, Zheng RK, Liu ZW, Delley B, Ringer SP, Stampfl C. First principles study of 3d transition metal doped Cu 3N Journal of Magnetism and Magnetic Materials. 324: 3138-3143. DOI: 10.1016/J.Jmmm.2012.05.021 |
0.591 |
|
| 2012 |
Stampfl C, Freeman AJ. Structure and stability of transition metal nitride interfaces from first-principles: AlN/VN, AlN/TiN, and VN/TiN Applied Surface Science. 258: 5638-5645. DOI: 10.1016/J.Apsusc.2012.02.046 |
0.383 |
|
| 2011 |
Warschkow O, Chuasiripattana K, Lyle MJ, Delley B, Stampfl C. Cu/ZnO(0001) under oxidating and reducing conditions: A first-principles survey of surface structures Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.125311 |
0.451 |
|
| 2010 |
Stampfl C, Derry TE, Makau NW. Interaction of diamond (111)-(1 × 1) and (2 × 1) surfaces with OH: a first principles study. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 475005. PMID 21386624 DOI: 10.1088/0953-8984/22/47/475005 |
0.421 |
|
| 2010 |
Derry TE, Makau NW, Stampfl C. Oxygen adsorption on the (1×1) and (2×1) reconstructed C(111) surfaces: a density functional theory study. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 265007. PMID 21386473 DOI: 10.1088/0953-8984/22/26/265007 |
0.439 |
|
| 2010 |
Piccinin S, Zafeiratos S, Stampfl C, Hansen TW, Hävecker M, Teschner D, Bukhtiyarov VI, Girgsdies F, Knop-Gericke A, Schlögl R, Scheffler M. Alloy catalyst in a reactive environment: the example of ag-cu particles for ethylene epoxidation. Physical Review Letters. 104: 035503. PMID 20366656 DOI: 10.1103/Physrevlett.104.035503 |
0.523 |
|
| 2010 |
Gladys MJ, Kambali I, Karolewski MA, Soon A, Stampfl C, O'Connor DJ. Comparison of hydrogen and deuterium adsorption on Pd(100). The Journal of Chemical Physics. 132: 024714. PMID 20095701 DOI: 10.1063/1.3292686 |
0.599 |
|
| 2010 |
Lyle MJ, Warschkow O, Delley B, Stampfl C. Coverage and charge-state dependent adsorption of carbon monoxide on the zinc oxide (0001) surface Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.165401 |
0.425 |
|
| 2010 |
Piccinin S, Stampfl C. Predicting order-disorder phase transitions of O/Pd(111) from ab initio Wang-Landau Monte Carlo calculations Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.155427 |
0.357 |
|
| 2010 |
Duan X, Warschkow O, Soon A, Delley B, Stampfl C. Density functional study of oxygen on Cu(100) and Cu(110) surfaces Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.075430 |
0.648 |
|
| 2010 |
Cui XY, Delley B, Stampfl C. Band gap engineering of wurtzite and zinc-blende GaN/AlN superlattices from first principles Journal of Applied Physics. 108. DOI: 10.1063/1.3505752 |
0.302 |
|
| 2010 |
Piccinin S, Nguyen NL, Stampfl C, Scheffler M. First-principles study of the mechanism of ethylene epoxidation over Ag-Cu particles Journal of Materials Chemistry. 20: 10521-10527. DOI: 10.1039/C0Jm01916J |
0.516 |
|
| 2010 |
Chuasiripattana K, Warschkow O, Delley B, Stampfl C. Reaction intermediates of methanol synthesis and the water-gas-shift reaction on the ZnO(0001) surface Surface Science. 604: 1742-1751. DOI: 10.1016/J.Susc.2010.06.025 |
0.355 |
|
| 2010 |
Cui XY, Delley B, Freeman AJ, Stampfl C. Tunnel magnetoresistance in trilayer junctions from first principles: Cr δ -layer doped GaN/AlN/GaN (0 0 0 1) Journal of Magnetism and Magnetic Materials. 322: 395-399. DOI: 10.1016/J.Jmmm.2009.09.060 |
0.325 |
|
| 2010 |
Altarawneh M, Radny MW, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, Soon A, Stampfl C. Adsorption of 2-chlorophenol on Cu2O(1 1 1)-CuCUS: A first-principles density functional study Applied Surface Science. 256: 4764-4770. DOI: 10.1016/J.Apsusc.2010.01.101 |
0.661 |
|
| 2009 |
Fronzi M, Piccinin S, Delley B, Traversa E, Stampfl C. Water adsorption on the stoichiometric and reduced CeO2(111) surface: a first-principles investigation. Physical Chemistry Chemical Physics : Pccp. 11: 9188-99. PMID 19812840 DOI: 10.1039/B901831J |
0.396 |
|
| 2009 |
Carter DJ, Puckeridge M, Delley B, Stampfl C. Quantum confinement effects in gallium nitride nanostructures: ab initio investigations. Nanotechnology. 20: 425401. PMID 19779245 DOI: 10.1088/0957-4484/20/42/425401 |
0.337 |
|
| 2009 |
Altarawneh M, Radny MW, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, Soon A, Stampfl C. A first-principles density functional study of chlorophenol adsorption on Cu2O(110):CuO. The Journal of Chemical Physics. 130: 184505. PMID 19449934 DOI: 10.1063/1.3123534 |
0.638 |
|
| 2009 |
Bohnen KP, Heid R, Pintschovius L, Soon A, Stampfl C. Ab initio lattice dynamics and thermal expansion of Cu2 O Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.134304 |
0.584 |
|
| 2009 |
Duan XM, Stampfl C, Bilek MMM, McKenzie DR. Codoping of aluminum and gallium with nitrogen in ZnO: A comparative first-principles investigation Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.235208 |
0.318 |
|
| 2009 |
Carter DJ, Stampfl C. Atomic and electronic structure of single and multiple vacancies in GaN nanowires from first-principles Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.195302 |
0.337 |
|
| 2009 |
Duan XM, Stampfl C. Vacancies and interstitials in indium nitride: Vacancy clustering and molecular bondlike formation from first principles Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.174202 |
0.334 |
|
| 2009 |
Duan XM, Stampfl C. Defect complexes and cluster doping of InN: First-principles investigations Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.035207 |
0.329 |
|
| 2009 |
Soon A, Cui XY, Delley B, Wei SH, Stampfl C. Native defect-induced multifarious magnetism in nonstoichiometric cuprous oxide: First-principles study of bulk and surface properties of Cu 2-δO Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.035205 |
0.661 |
|
| 2009 |
Cui XY, Delley B, Freeman AJ, Stampfl C. First-principles investigation of Mn δ -layer doped GaN/AlN/GaN (0001) tunneling junctions Journal of Applied Physics. 106. DOI: 10.1063/1.3194790 |
0.341 |
|
| 2009 |
Fronzi M, Soon A, Delley B, Traversa E, Stampfl C. Stability and morphology of cerium oxide surfaces in an oxidizing environment: A first-principles investigation Journal of Chemical Physics. 131. DOI: 10.1063/1.3191784 |
0.658 |
|
| 2009 |
Piccinin S, Stampfl C, Scheffler M. Ag-Cu alloy surfaces in an oxidizing environment: A first-principles study Surface Science. 603: 1467-1475. DOI: 10.1016/J.Susc.2008.10.050 |
0.573 |
|
| 2008 |
Cui XY, Medvedeva JE, Delley B, Freeman AJ, Stampfl C. Built-in electric field assisted spin injection in Cr and Mn δ-layer doped AlN/GaN(0001) heterostructures from first principles Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.245317 |
0.329 |
|
| 2008 |
Zhang H, Soon A, Delley B, Stampfl C. Stability, structure, and electronic properties of chemisorbed oxygen and thin surface oxides on Ir(111) Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.045436 |
0.678 |
|
| 2008 |
Soon A, Wong L, Delley B, Stampfl C. Morphology of copper nanoparticles in a nitrogen atmosphere: A first-principles investigation (Physical Review B - Condensed Matter and Materials Physics (2008) 77, (125423)) Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.159901 |
0.525 |
|
| 2008 |
Soon A, Wong L, Delley B, Stampfl C. Morphology of copper nanoparticles in a nitrogen atmosphere: A first-principles investigation Physical Review B. 77. DOI: 10.1103/Physrevb.77.125423 |
0.63 |
|
| 2008 |
Carter DJ, Gale JD, Delley B, Stampfl C. Geometry and diameter dependence of the electronic and physical properties of GaN nanowires from first principles Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.115349 |
0.319 |
|
| 2008 |
Shi H, Stampfl C. Shape and surface structure of gold nanoparticles under oxidizing conditions Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.094127 |
0.437 |
|
| 2008 |
Piccinin S, Stampfl C, Scheffler M. First-principles investigation of Ag-Cu alloy surfaces in an oxidizing environment Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.075426 |
0.581 |
|
| 2008 |
Da Silva JLF, Stampfl C. Trends in adsorption of noble gases He, Ne, Ar, Kr, and Xe on Pd (111) (3×3) R30°: All-electron density-functional calculations Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.045401 |
0.395 |
|
| 2008 |
Stampfl C, Soon A, Piccinin S, Shi H, Zhang H. Bridging the temperature and pressure gaps: Close-packed transition metal surfaces in an oxygen environment Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/18/184021 |
0.635 |
|
| 2008 |
Zhang H, Soon A, Delley B, Stampfl C. Aluminium adsorption on Ir(1 1 1) at a quarter monolayer coverage: A first-principles study Applied Surface Science. 254: 7655-7658. DOI: 10.1016/J.Apsusc.2008.01.160 |
0.629 |
|
| 2007 |
Soon A, Todorova M, Delley B, Stampfl C. Erratum: Thermodynamic stability and structure of copper oxide surfaces: A first-principles investigation [Phys. Rev. B75, 125420 (2007)] Physical Review B. 76. DOI: 10.1103/Physrevb.76.129902 |
0.619 |
|
| 2007 |
Da Silva JLF, Stampfl C. Nature of Xenon adsorption on graphite: On-top versus hollow site preference Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.085301 |
0.438 |
|
| 2007 |
Shi H, Stampfl C. First-principles investigations of the structure and stability of oxygen adsorption and surface oxide formation at Au(111) Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.075327 |
0.47 |
|
| 2007 |
Cui XY, Delley B, Freeman AJ, Stampfl C. Neutral and charged embedded clusters of Mn in doped GaN from first principles Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.045201 |
0.345 |
|
| 2007 |
Shi H, Asahi R, Stampfl C. Properties of the gold oxides Au2 O3 and Au2 O: First-principles investigation Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.205125 |
0.345 |
|
| 2007 |
Soon A, Todorova M, Delley B, Stampfl C. Thermodynamic stability and structure of copper oxide surfaces: A first-principles investigation Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.125420 |
0.626 |
|
| 2007 |
Stampfl C. Predicting surface phase transitions from ab initio based statistical mechanics and thermodynamics Phase Transitions. 80: 311-332. DOI: 10.1080/01411590701228596 |
0.427 |
|
| 2007 |
Cui XY, Fernandez-Hevia D, Delley B, Freeman AJ, Stampfl C. Embedded clustering in Cr-doped AlN: Evidence for general behavior in dilute magnetic III-nitride semiconductors Journal of Applied Physics. 101. DOI: 10.1063/1.2735405 |
0.313 |
|
| 2007 |
Soon A, Wong L, Lee M, Todorova M, Delley B, Stampfl C. Nitrogen adsorption and thin surface nitrides on Cu(1 1 1) from first-principles Surface Science. 601: 4775-4785. DOI: 10.1016/J.Susc.2007.07.011 |
0.653 |
|
| 2007 |
Soon A, Todorova M, Delley B, Stampfl C. Surface oxides of the oxygen-copper system: Precursors to the bulk oxide phase? Surface Science. 601: 5809-5813. DOI: 10.1016/J.Susc.2007.06.062 |
0.658 |
|
| 2006 |
Hao S, Delley B, Veprek S, Stampfl C. Superhard nitride-based nanocomposites: role of interfaces and effect of impurities. Physical Review Letters. 97: 086102. PMID 17026318 DOI: 10.1103/Physrevlett.97.086102 |
0.364 |
|
| 2006 |
Hao S, Delley B, Stampfl C. Role of oxygen in TiN(111) Six Ny TiN(111) interfaces: Implications for superhard nanocrystalline nc-TiN a- Si3 N4 nanocomposites Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.035424 |
0.364 |
|
| 2006 |
Hao S, Delley B, Stampfl C. Structure and properties of TiN(111) Six Ny TiN(111) interfaces in superhard nanocomposites: First-principles investigations Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.035402 |
0.333 |
|
| 2006 |
Soon A, Todorova M, Delley B, Stampfl C. Oxygen adsorption and stability of surface oxides on Cu(111): A first-principles investigation Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.165424 |
0.681 |
|
| 2006 |
Da Silva JLF, Stampfl C, Scheffler M. Converged properties of clean metal surfaces by all-electron first-principles calculations Surface Science. 600: 703-715. DOI: 10.1016/J.Susc.2005.12.008 |
0.576 |
|
| 2005 |
Borg M, Stampfl C, Mikkelsen A, Gustafson J, Lundgren E, Scheffler M, Andersen JN. Density of configurational states from first-principles calculations: the phase diagram of Al-Na surface alloys. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1923-8. PMID 16086344 DOI: 10.1002/Cphc.200400612 |
0.531 |
|
| 2005 |
Medvedeva JE, Freeman AJ, Cui XY, Stampfl C, Newman N. Half-metallicity and efficient spin injection in AlN/GaN:Cr (0001) heterostructure. Physical Review Letters. 94: 146602. PMID 15904088 DOI: 10.1103/Physrevlett.94.146602 |
0.302 |
|
| 2005 |
Da Silva JLF, Stampfl C, Scheffler M. Xe adsorption on metal surfaces: First-principles investigations Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.075424 |
0.557 |
|
| 2005 |
Stampfl C, Freeman AJ. Stable and metastable structures of the multiphase tantalum nitride system Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.024111 |
0.374 |
|
| 2005 |
Stampfl C. Surface processes and phase transitions from ab initio atomistic thermodynamics and statistical mechanics Catalysis Today. 105: 17-35. DOI: 10.1016/J.Cattod.2005.04.015 |
0.443 |
|
| 2003 |
Li WX, Stampfl C, Scheffler M. Why is a noble metal catalytically active? The role of the O-Ag interaction in the function of silver as an oxidation catalyst. Physical Review Letters. 90: 256102. PMID 12857148 DOI: 10.1103/Physrevlett.90.256102 |
0.525 |
|
| 2003 |
Da Silva JL, Stampfl C, Scheffler M. Adsorption of Xe atoms on metal surfaces: new insights from first-principles calculations. Physical Review Letters. 90: 066104. PMID 12633306 DOI: 10.1103/Physrevlett.90.066104 |
0.561 |
|
| 2003 |
Li W, Stampfl C, Scheffler M. Insights into the function of silver as an oxidation catalyst by ab initio atomistic thermodynamics Physical Review B. 68. DOI: 10.1103/Physrevb.68.165412 |
0.587 |
|
| 2003 |
Stampfl C, Freeman AJ. Metallic to insulating nature of TaNx: Role of Ta and N vacancies Physical Review B - Condensed Matter and Materials Physics. 67: 641081-641087. DOI: 10.1103/Physrevb.67.064108 |
0.382 |
|
| 2003 |
Li W, Stampfl C, Scheffler M. Subsurface oxygen and surface oxide formation at Ag(111): A density-functional theory investigation Physical Review B. 67. DOI: 10.1103/Physrevb.67.045408 |
0.593 |
|
| 2003 |
Li WX, Stampfl C, Scheffler M. Insights into the function of silver as an oxidation catalyst by ab initio atomistic thermodynamics Physical Review B - Condensed Matter and Materials Physics. 68: 1654121-16541215. |
0.4 |
|
| 2003 |
Li WX, Stampfl C, Scheffler M. Subsurface oxygen and surface oxide formation at Ag(111): A density-functional theory investigation Physical Review B - Condensed Matter and Materials Physics. 67: 454081-4540816. |
0.479 |
|
| 2002 |
Todorova M, Li WX, Ganduglia-Pirovano MV, Stampfl C, Reuter K, Scheffler M. Role of subsurface oxygen in oxide formation at transition metal surfaces. Physical Review Letters. 89: 096103. PMID 12190418 DOI: 10.1103/Physrevlett.89.096103 |
0.575 |
|
| 2002 |
Stampfl C, Freeman AJ. Formation and stability of enhanced superhard nanostructured AlN/VN and AlN/TiN superlattice materials Materials Research Society Symposium - Proceedings. 750: 507-512. DOI: 10.1557/Proc-750-Y6.5 |
0.374 |
|
| 2002 |
Fuchs M, Da Silva JLF, Stampfl C, Neugebauer J, Scheffler M. Cohesive properties of group-III nitrides: A comparative study of all-electron and pseudopotential calculations using the generalized gradient approximation Physical Review B - Condensed Matter and Materials Physics. 65: 2452121-24521213. DOI: 10.1103/Physrevb.65.245212 |
0.5 |
|
| 2002 |
Yu L, Stampfl C, Marshall D, Eshrich T, Narayanan V, Rowell JM, Newman N, Freeman AJ. Mechanism and control of the metal-to-insulator transition in rocksalt tantalum nitride Physical Review B - Condensed Matter and Materials Physics. 65: 2451101-2451105. DOI: 10.1103/Physrevb.65.245110 |
0.326 |
|
| 2002 |
Reuter K, Ganduglia-Pirovano MV, Stampfl C, Scheffler M. Metastable precursors during the oxidation of the Ru(0001) surface Physical Review B - Condensed Matter and Materials Physics. 65: 1654031-16540310. DOI: 10.1103/Physrevb.65.165403 |
0.538 |
|
| 2002 |
Stampfl C, Asahi R, Freeman AJ. Surface properties of the refractory metal-nitride semiconductor ScN: Screened-exchange LDA-FLAPW investigations Physical Review B - Condensed Matter and Materials Physics. 65: 1612041-1612044. DOI: 10.1103/Physrevb.65.161204 |
0.451 |
|
| 2002 |
Stampfl C, Scheffler M. Energy barriers and chemical properties in the coadsorption of carbon monoxide and oxygen on Ru(0001) Physical Review B - Condensed Matter and Materials Physics. 65: 1554171-15541711. DOI: 10.1103/Physrevb.65.155417 |
0.547 |
|
| 2002 |
Stampfl C, Van de Walle CG. Theoretical investigation of native defects, impurities, and complexes in aluminum nitride Physical Review B - Condensed Matter and Materials Physics. 65: 1552121-15521210. DOI: 10.1103/Physrevb.65.155212 |
0.386 |
|
| 2002 |
Li W, Stampfl C, Scheffler M. Oxygen adsorption on Ag(111): A density-functional theory investigation Physical Review B. 65. DOI: 10.1103/Physrevb.65.075407 |
0.59 |
|
| 2002 |
Stampfl C, Veronica Ganduglia-Pirovano M, Reuter K, Scheffler M. Catalysis and corrosion: The theoretical surface-science context Surface Science. 500: 368-394. DOI: 10.1016/S0039-6028(01)01551-5 |
0.568 |
|
| 2002 |
McEwen JS, Payne SH, Stampfl C. Phase diagram of O/Ru(0 0 0 1) from first principles Chemical Physics Letters. 361: 317-320. DOI: 10.1016/S0009-2614(02)00976-4 |
0.365 |
|
| 2002 |
Reuter K, Stampfl C, Verónica Ganduglia-Pirovano M, Scheffler M. Atomistic description of oxide formation on metal surfaces: The example of ruthenium Chemical Physics Letters. 352: 311-317. DOI: 10.1016/S0009-2614(01)01472-5 |
0.55 |
|
| 2002 |
Li WX, Stampfl C, Scheffler M. Oxygen adsorption on Ag(111): A density-functional theory investigation Physical Review B - Condensed Matter and Materials Physics. 65: 0754071-07540719. |
0.426 |
|
| 2001 |
Barman SR, Stampfl C, Häberle P, Ibañez W, Cai YQ, Horn K. Collective excitations in alkali metals on Al(111) Physical Review B - Condensed Matter and Materials Physics. 64: 1954101-19541013. DOI: 10.1103/Physrevb.64.195410 |
0.358 |
|
| 2001 |
Lizzit S, Baraldi A, Groso A, Reuter K, Ganduglia-Pirovano MV, Stampfl C, Scheffler M, Stichler M, Keller C, Wurth W, Menzel D. Surface core-level shifts of clean and oxygen-covered Ru(0001) Physical Review B - Condensed Matter and Materials Physics. 63: 2054191-20541914. DOI: 10.1103/Physrevb.63.205419 |
0.561 |
|
| 2001 |
Stampfl C, Mannstadt W, Asahi R, Freeman AJ. Electronic structure and physical properties of early transition metal mononitrides: Density-functional theory LDA, GGA, and screened-exchange LDA FLAPW calculations Physical Review B - Condensed Matter and Materials Physics. 63: 1551061-15510611. DOI: 10.1103/Physrevb.63.155106 |
0.383 |
|
| 2000 |
Stampfl C, Van De Walle CG, Vogel D, Krüger P, Pollmann J. Native defects and impurities in InN: First-principles studies using the local-density approximation and self-interaction and relaxation-corrected pseudopotentials Physical Review B - Condensed Matter and Materials Physics. 61: R7846-R7849. DOI: 10.1103/Physrevb.61.R7846 |
0.395 |
|
| 2000 |
Scheffler M, Stampfl C. Chapter 5 Theory of adsorption on metal substrates Handbook of Surface Science. 2: 285-356. DOI: 10.1016/S1573-4331(00)80009-8 |
0.392 |
|
| 1999 |
Bonn M, Funk S, Hess C, Denzler DN, Stampfl C, Scheffler M, Wolf M, Ertl G. Phonon- versus electron-mediated desorption and oxidation of CO on Ru(0001) Science (New York, N.Y.). 285: 1042-5. PMID 10446045 DOI: 10.1126/Science.285.5430.1042 |
0.49 |
|
| 1999 |
Van De Walle CG, Stampfl C, Neugebauer J, McCluskey MD, Johnson NM. Doping of AlGaN alloys Mrs Internet Journal of Nitride Semiconductor Research. 4. DOI: 10.1557/S1092578300003574 |
0.339 |
|
| 1999 |
Van De Walle CG, Stampfl C, Neugebauer J, McCiuskey MD, Johnson NM. Doping of aigan alloys Materials Research Society Symposium - Proceedings. 537: G10.4. DOI: 10.1557/Proc-537-G10.4 |
0.322 |
|
| 1999 |
Van de Walle C, Neugebauer J, Stampfl C, McCluskey M, Johnson N. Defects and Defect Reactions in Semiconductor Nitrides Acta Physica Polonica A. 96: 613-627. DOI: 10.12693/Aphyspola.96.613 |
0.35 |
|
| 1999 |
Stampfl C, Kreuzer HJ, Payne SH, Pfnür H, Scheffler M. First-principles theory of surface thermodynamics and kinetics Physical Review Letters. 83: 2993-2996. DOI: 10.1103/Physrevlett.83.2993 |
0.535 |
|
| 1999 |
Stampfl C, Van De Walle CG. Density-functional calculations for III-V nitrides using the local-density approximation and the generalized gradient approximation Physical Review B - Condensed Matter and Materials Physics. 59: 5521-5535. DOI: 10.1103/Physrevb.59.5521 |
0.386 |
|
| 1999 |
Stampfl C, Neugebauer J, Van De Walle CG. Doping of AlxGa1-xN alloys Materials Science and Engineering B: Solid-State Materials For Advanced Technology. 59: 253-257. DOI: 10.1016/S0921-5107(98)00347-X |
0.324 |
|
| 1999 |
Stampfl C, Scheffler M. Density-functional theory study of the catalytic oxidation of CO over transition metal surfaces Surface Science. 433: 119-126. DOI: 10.1016/S0039-6028(99)00531-2 |
0.569 |
|
| 1999 |
Stampfl C, Kreuzer HJ, Payne SH, Scheffler M. Challenges in predictive calculations of processes at surfaces: Surface thermodynamics and catalytic reactions Applied Physics a: Materials Science and Processing. 69: 471-480. DOI: 10.1007/S003390051441 |
0.544 |
|
| 1998 |
Stampfl C, Kambe K, Fasel R, Aebi P, Scheffler M. Theoretical analysis of the electronic structure of the stable and metastable c (2 × 2) phases of Na on Al(001): Comparison with angle-resolved ultraviolet photoemission spectra Physical Review B - Condensed Matter and Materials Physics. 57: 15251-15260. DOI: 10.1103/Physrevb.57.15251 |
0.557 |
|
| 1998 |
Stampfl C, Van de Walle CG. Doping of AlxGa1−xN Applied Physics Letters. 72: 459-461. DOI: 10.1063/1.120803 |
0.321 |
|
| 1998 |
Van De Walle CG, Stampfl C, Neugebauer J. Theory of doping and defects in III-V nitrides Journal of Crystal Growth. 189: 505-510. DOI: 10.1016/S0022-0248(98)00340-6 |
0.338 |
|
| 1998 |
Stampfl C, Scheffler M. Coadsorption of CO and O on Ru(0001): A structural analysis by density functional theory Israel Journal of Chemistry. 38: 409-414. DOI: 10.1002/Ijch.199800047 |
0.566 |
|
| 1997 |
Stampfl C, Scheffler M. Mechanism of efficient carbon monoxide oxidation at Ru(0001) Journal of Vacuum Science and Technology a: Vacuum, Surfaces and Films. 15: 1635-1641. DOI: 10.1116/1.580645 |
0.543 |
|
| 1997 |
Stampfl C, Scheffler M. Anomalous behavior of Ru for catalytic oxidation: A theoretical study of the catalytic reaction CO + 1/2 O_2 -> CO_2 Physical Review Letters. 78: 1500-1503. DOI: 10.1103/Physrevlett.78.1500 |
0.527 |
|
| 1997 |
Moré S, Berndt W, Stampfl C, Bradshaw AM. A new LEED investigation of the Cu(110)-(2 × 3)N structure Surface Science. 381: L589-L593. DOI: 10.1016/S0039-6028(97)00050-2 |
0.329 |
|
| 1997 |
Stampfl C, Scheffler M. Study of CO oxidation over Ru(0001) at high gas pressures Surface Science. 377: 808-812. DOI: 10.1016/S0039-6028(96)01509-9 |
0.54 |
|
| 1997 |
Stampfl C, Scheffler M. Anomalous behavior of Ru for catalytic oxidation: A theoretical study of the catalytic reaction CO + 1/2O2 → CO2 Physical Review Letters. 78: 1500-1503. |
0.387 |
|
| 1996 |
Stampfl C, Schwegmann S, Over H, Scheffler M, Ertl G. Structure and Stability of a High-Coverage (1 x 1) Oxygen Phase on Ru(0001). Physical Review Letters. 77: 3371-3374. PMID 10062203 DOI: 10.1103/Physrevlett.77.3371 |
0.539 |
|
| 1996 |
Stampfl C, Scheffler M. Theoretical study of O adlayers on Ru(0001). Physical Review. B, Condensed Matter. 54: 2868-2872. PMID 9986142 DOI: 10.1103/Physrevb.54.2868 |
0.539 |
|
| 1996 |
Stampfl C. Density functional theory study of Na on Al(111) and O on Ru(0001) Surface Review and Letters. 3: 1567-1577. DOI: 10.1142/S0218625X96002564 |
0.437 |
|
| 1995 |
Burchhardt J, Nielsen MM, Adams DL, Lundgren E, Andersen JN, Stampfl C, Scheffler M, Schmalz A, Aminpirooz S, Haase J. Formation and structural analysis of a surface alloy: Al(111)-(2 x 2)-Na. Physical Review Letters. 74: 1617-1620. PMID 10059074 DOI: 10.1103/Physrevlett.74.1617 |
0.48 |
|
| 1995 |
STAMPFL C, SCHEFFLER M. THEORY OF ALKALI-METAL ADSORPTION ON CLOSE-PACKED METAL SURFACES Surface Review and Letters. 2: 317-343. DOI: 10.1142/S0218625X95000339 |
0.561 |
|
| 1995 |
Berndt W, Weick D, Stampfl C, Bradshaw AM, Scheffler M. Structural analysis of the two c(2 × 2) phases of Na adsorbed on Al(100) Surface Science. 330: 182-192. DOI: 10.1016/0039-6028(95)00229-4 |
0.516 |
|
| 1994 |
Stampfl C, Scheffler M, Over H, Burchhardt J, Nielsen M, Adams DL, Moritz W. LEED structural analysis of Al(111)-K-( sqrt 3 x sqrt 3 )R30 degrees: Identification of stable and metastable adsorption sites. Physical Review. B, Condensed Matter. 49: 4959-4972. PMID 10011430 DOI: 10.1103/Physrevb.49.4959 |
0.494 |
|
| 1994 |
STAMPFL C, NEUGEBAUER J, SCHEFFLER M. THEORETICAL EVIDENCE FOR UNUSUAL BONDING GEOMETRY AND PHASE TRANSITIONS OF Na ON Al(001) Surface Review and Letters. 1: 213-219. DOI: 10.1142/S0218625X94000217 |
0.557 |
|
| 1994 |
Stampfl C, Scheffler M, Over H, Burchhardt J, Nielsen M, Adams DL, Moritz W. LEED structural analysis of Al(111)-K-(3 × 3) R30°: Identification of stable and metastable adsorption sites Physical Review B. 49: 4959-4972. DOI: 10.1103/PhysRevB.49.4959 |
0.393 |
|
| 1994 |
Stampfl C, Scheffler M. Theoretical identification of a (2 × 2) composite double layer ordered surface alloy of Na on Al(111) Surface Science. 319: L23-L28. DOI: 10.1016/0039-6028(94)90563-0 |
0.543 |
|
| 1994 |
Stampfl C, Neugebauer J, Scheffler M. Alkali-metal adsorption on Al(111) and Al(100) Surface Science. 307: 8-15. DOI: 10.1016/0039-6028(94)90362-X |
0.527 |
|
| 1994 |
Grillo ME, Stampfl C, Berndt W. Low-energy electron-diffraction analysis of the (√7 × √7)R19.1°-S adsorbate structure on the Pd(111) surface Surface Science. 317: 84-98. DOI: 10.1016/0039-6028(94)90255-0 |
0.349 |
|
| 1993 |
Stampfl C, Kambe K, Riley JD, Lynch DF. Angle-resolved photoemission theory for valence electrons. I. A calculation scheme by the multi-slice method Journal of Physics: Condensed Matter. 5: 8211-8224. DOI: 10.1088/0953-8984/5/44/012 |
0.336 |
|
| 1993 |
Stampfl C, Burchhardt J, Nielsen M, Adams DL, Scheffler M, Over H, Moritz W. The structure ofAl(111)-K-(√3 × √3)R30° determined by LEED: stable and metastable adsorption sites Surface Science. 287: 418-422. DOI: 10.1016/0039-6028(93)90815-2 |
0.403 |
|
| 1992 |
Stampfl C, Scheffler M, Over H, Burchhardt J, Nielsen M, Adams DL, Moritz W. Identification of stable and metastable adsorption sites of K adsorbed on Al(111). Physical Review Letters. 69: 1532-1535. PMID 10046246 DOI: 10.1103/Physrevlett.69.1532 |
0.486 |
|
| 1992 |
Stampfl C, Kambe K, Riley JD, Lynch DF. Calculation of the complex bulk and surface-state band structure using the multislice matrix method Journal of Physics: Condensed Matter. 4: 8461-8476. DOI: 10.1088/0953-8984/4/44/008 |
0.388 |
|
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