| Year |
Citation |
Score |
| 2022 |
Kumar M, Piccinin S, Srinivasan V. Direct and indirect role of Fe doping in NiOOH monolayer for water oxidation catalysis. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 35491429 DOI: 10.1002/cphc.202200085 |
0.469 |
|
| 2020 |
Nong HN, Falling LJ, Bergmann A, Klingenhof M, Tran HP, Spöri C, Mom R, Timoshenko J, Zichittella G, Knop-Gericke A, Piccinin S, Pérez-Ramírez J, Cuenya BR, Schlögl R, Strasser P, et al. Key role of chemistry versus bias in electrocatalytic oxygen evolution. Nature. 587: 408-413. PMID 33208960 DOI: 10.1038/s41586-020-2908-2 |
0.313 |
|
| 2020 |
Schweinar K, Beeg S, Hartwig C, Rajamathi C, Kasian O, Piccinin S, Prieto MJ, Tanase LC, Gottlob D, Schmidt T, Raabe D, Schlögl R, Gault B, Jones TE, Greiner MT. Formation a 2D meta-stable oxide by differential oxidation of AgCu alloys. Acs Applied Materials & Interfaces. PMID 32314585 DOI: 10.1021/Acsami.0C03963 |
0.428 |
|
| 2019 |
Lykhach Y, Piccinin S, Skála T, Bertram M, Tsud N, Brummel O, Farnesi Camellone M, Beranová K, Neitzel A, Fabris S, Prince KC, Matolín V, Libuda J. Quantitative Analysis of the Oxidation State of Cobalt Oxides by Resonant Photoemission Spectroscopy. The Journal of Physical Chemistry Letters. 6129-6136. PMID 31553619 DOI: 10.1021/Acs.Jpclett.9B02398 |
0.338 |
|
| 2019 |
Ulman K, Poli E, Seriani N, Piccinin S, Gebauer R. Understanding the electrochemical double layer at the hematite/water interface: A first principles molecular dynamics study. The Journal of Chemical Physics. 150: 041707. PMID 30709242 DOI: 10.1063/1.5047930 |
0.319 |
|
| 2019 |
Piccinin S. The band structure and optical absorption of hematite (α-FeO): a first-principles GW-BSE study. Physical Chemistry Chemical Physics : Pccp. 21: 2957-2967. PMID 30687864 DOI: 10.1039/C8Cp07132B |
0.335 |
|
| 2019 |
Ferri M, Elliott J, Farnesi Camellone M, Fabris S, Piccinin S. Thermodynamic Stability and Native Point Defects of CuFeO2 Photocathodes in Dry and Electrochemical Environments The Journal of Physical Chemistry C. 123: 29589-29598. DOI: 10.1021/Acs.Jpcc.9B08957 |
0.307 |
|
| 2018 |
Greiner MT, Jones TE, Beeg S, Zwiener L, Scherzer M, Girgsdies F, Piccinin S, Armbrüster M, Knop-Gericke A, Schlögl R. Free-atom-like d states in single-atom alloy catalysts. Nature Chemistry. PMID 30150725 DOI: 10.1038/S41557-018-0125-5 |
0.37 |
|
| 2018 |
Carbonio EA, Rocha TCR, Klyushin AY, Píš I, Magnano E, Nappini S, Piccinin S, Knop-Gericke A, Schlögl R, Jones TE. Are multiple oxygen species selective in ethylene epoxidation on silver? Chemical Science. 9: 990-998. PMID 29629166 DOI: 10.1039/C7Sc04728B |
0.379 |
|
| 2018 |
Jones TE, Wyrwich R, Böcklein S, Carbonio EA, Greiner MT, Klyushin AY, Moritz W, Locatelli A, Menteş TO, Niño MA, Knop-Gericke A, Schlögl R, Günther S, Wintterlin J, Piccinin S. The Selective Species in Ethylene Epoxidation on Silver Acs Catalysis. 8: 3844-3852. DOI: 10.1021/Acscatal.8B00660 |
0.401 |
|
| 2018 |
Wyrwich R, Jones TE, Günther S, Moritz W, Ehrensperger M, Böcklein S, Zeller P, Lünser A, Locatelli A, Menteş TO, Niño MÁ, Knop-Gericke A, Schlögl R, Piccinin S, Wintterlin J. LEED-I(V) Structure Analysis of the (7 × √3)rect SO4 Phase on Ag(111): Precursor to the Active Species of the Ag-Catalyzed Ethylene Epoxidation The Journal of Physical Chemistry C. 122: 26998-27004. DOI: 10.1021/Acs.Jpcc.8B09309 |
0.408 |
|
| 2017 |
Pfeifer V, Jones TE, Velasco Vélez JJ, Arrigo R, Piccinin S, Hävecker M, Knop-Gericke A, Schlögl R. In situ observation of reactive oxygen species forming on oxygen-evolving iridium surfaces. Chemical Science. 8: 2143-2149. PMID 28507666 DOI: 10.1039/C6Sc04622C |
0.396 |
|
| 2017 |
Ulman K, Nguyen M, Seriani N, Piccinin S, Gebauer R. A Unified Picture of Water Oxidation on Bare and Gallium Oxide-Covered Hematite from Density Functional Theory Acs Catalysis. 7: 1793-1804. DOI: 10.1021/Acscatal.6B03162 |
0.434 |
|
| 2017 |
Piccinin S, Rocca D, Pastore M. Role of Solvent in the Energy Level Alignment of Dye-Sensitized NiO Interfaces Journal of Physical Chemistry C. 121: 22286-22294. DOI: 10.1021/Acs.Jpcc.7B08463 |
0.337 |
|
| 2017 |
Lee T, Lee Y, Piccinin S, Soon A. Ab Initio Thermodynamics of Surface Oxide Structures under Controlled Growth Conditions The Journal of Physical Chemistry C. 121: 2228-2233. DOI: 10.1021/Acs.Jpcc.6B11445 |
0.414 |
|
| 2016 |
Pfeifer V, Jones TE, Wrabetz S, Massué C, Velasco Vélez JJ, Arrigo R, Scherzer M, Piccinin S, Hävecker M, Knop-Gericke A, Schlögl R. Reactive oxygen species in iridium-based OER catalysts. Chemical Science. 7: 6791-6795. PMID 28042464 DOI: 10.1039/C6Sc01860B |
0.401 |
|
| 2016 |
Struzzi C, Praveen CS, Scardamaglia M, Verbitskiy NI, Fedorov AV, Weinl M, Schreck M, Grüneis A, Piccinin S, Fabris S, Petaccia L. Controlled thermodynamics for tunable electron doping of graphene on Ir(111) Physical Review B - Condensed Matter and Materials Physics. 94. DOI: 10.1103/Physrevb.94.085427 |
0.315 |
|
| 2016 |
Stamatakis M, Piccinin S. Rationalizing the Relation between Adlayer Structure and Observed Kinetics in Catalysis Acs Catalysis. 6: 2105-2111. DOI: 10.1021/Acscatal.5B02876 |
0.344 |
|
| 2016 |
Jones TE, Wyrwich R, Böcklein S, Rocha TCR, Carbonio EA, Knop-Gericke A, Schlögl R, Günther S, Wintterlin J, Piccinin S. Oxidation of Ethylene on Oxygen Reconstructed Silver Surfaces The Journal of Physical Chemistry C. 120: 28630-28638. DOI: 10.1021/Acs.Jpcc.6B10074 |
0.384 |
|
| 2016 |
Piccinin S, Stamatakis M. Steady-State CO Oxidation on Pd(111): First-Principles Kinetic Monte Carlo Simulations and Microkinetic Analysis Topics in Catalysis. 60: 141-151. DOI: 10.1007/S11244-016-0725-5 |
0.384 |
|
| 2015 |
Pfeifer V, Jones TE, Velasco Vélez JJ, Massué C, Greiner MT, Arrigo R, Teschner D, Girgsdies F, Scherzer M, Allan J, Hashagen M, Weinberg G, Piccinin S, Hävecker M, Knop-Gericke A, et al. The electronic structure of iridium oxide electrodes active in water splitting. Physical Chemistry Chemical Physics : Pccp. PMID 26700139 DOI: 10.1039/C5Cp06997A |
0.443 |
|
| 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 |
0.42 |
|
| 2015 |
Fedorov A, Praveen CS, Verbitskiy NI, Haberer D, Usachov D, Vyalikh DV, Nefedov A, Wöll C, Petaccia L, Piccinin S, Sachdev H, Knupfer M, Büchner B, Fabris S, Grüneis A. Efficient gating of epitaxial boron nitride monolayers by substrate functionalization Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.125440 |
0.357 |
|
| 2015 |
Praveen CS, Piccinin S, Fabris S. Adsorption of alkali adatoms on graphene supported by the Au/Ni(111) surface Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.075403 |
0.303 |
|
| 2015 |
Dietz L, Piccinin S, Maestri M. Mechanistic insights into CO2 activation via reverse water - Gas shift on metal surfaces Journal of Physical Chemistry C. 119: 4959-4966. DOI: 10.1021/Jp512962C |
0.376 |
|
| 2015 |
Rossi A, Piccinin S, Pellegrini V, De Gironcoli S, Tozzini V. Nano-scale corrugations in graphene: A density functional theory study of structure, electronic properties and hydrogenation Journal of Physical Chemistry C. 119: 7900-7910. DOI: 10.1021/Jp511409B |
0.311 |
|
| 2015 |
Nguyen MT, Piccinin S, Seriani N, Gebauer R. Photo-oxidation of water on defective hematite(0001) Acs Catalysis. 5: 715-721. DOI: 10.1021/Cs5017326 |
0.388 |
|
| 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 |
0.367 |
|
| 2015 |
Pfeifer V, Jones TE, Velasco Vélez JJ, Massué C, Arrigo R, Teschner D, Girgsdies F, Scherzer M, Greiner MT, Allan J, Hashagen M, Weinberg G, Piccinin S, Hävecker M, Knop-Gericke A, et al. The electronic structure of iridium and its oxides Surface and Interface Analysis. DOI: 10.1002/Sia.5895 |
0.379 |
|
| 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 |
0.416 |
|
| 2014 |
Nguyen MT, Seriani N, Piccinin S, Gebauer R. Photo-driven oxidation of water on α-Fe2O3 surfaces: an ab initio study. The Journal of Chemical Physics. 140: 064703. PMID 24527933 DOI: 10.1063/1.4865103 |
0.417 |
|
| 2014 |
Ma C, Piccinin S, Fabris S. Interface structure and reactivity of water-oxidation Ru-polyoxometalate catalysts on functionalized graphene electrodes. Physical Chemistry Chemical Physics : Pccp. 16: 5333-41. PMID 24496469 DOI: 10.1039/C3Cp54943G |
0.383 |
|
| 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 |
0.423 |
|
| 2014 |
Piccinin S, Stamatakis M. CO oxidation on Pd(111): A first-principles-based kinetic monte carlo study Acs Catalysis. 4: 2143-2152. DOI: 10.1021/Cs500377J |
0.395 |
|
| 2013 |
Kwapien K, Piccinin S, Fabris S. Energetics of Water Oxidation Catalyzed by Cobalt Oxide Nanoparticles: Assessing the Accuracy of DFT and DFT+U Approaches against Coupled Cluster Methods. The Journal of Physical Chemistry Letters. 4: 4223-30. PMID 26296169 DOI: 10.1021/Jz402263D |
0.435 |
|
| 2013 |
Nguyen NL, de Gironcoli S, Piccinin S. Ag-Cu catalysts for ethylene epoxidation: selectivity and activity descriptors. The Journal of Chemical Physics. 138: 184707. PMID 23676064 DOI: 10.1063/1.4803157 |
0.392 |
|
| 2013 |
Piccinin S, Sartorel A, Aquilanti G, Goldoni A, Bonchio M, Fabris S. Water oxidation surface mechanisms replicated by a totally inorganic tetraruthenium-oxo molecular complex. Proceedings of the National Academy of Sciences of the United States of America. 110: 4917-22. PMID 23479603 DOI: 10.1073/Pnas.1213486110 |
0.437 |
|
| 2013 |
Haberer D, Petaccia L, Fedorov AV, Praveen CS, Fabris S, Piccinin S, Vilkov O, Vyalikh DV, Preobrajenski A, Verbitskiy NI, Shiozawa H, Fink J, Knupfer M, Büchner B, Grüneis A. Anisotropic Eliashberg function and electron-phonon coupling in doped graphene Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.081401 |
0.304 |
|
| 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 |
0.399 |
|
| 2012 |
Hu XL, Piccinin S, Laio A, Fabris S. Atomistic structure of cobalt-phosphate nanoparticles for catalytic water oxidation. Acs Nano. 6: 10497-504. PMID 23145574 DOI: 10.1021/Nn3044325 |
0.358 |
|
| 2012 |
Zafeiratos S, Piccinin S, Teschner D. Alloys in catalysis: Phase separation and surface segregation phenomena in response to the reactive environment Catalysis Science and Technology. 2: 1787-1801. DOI: 10.1039/C2Cy00487A |
0.383 |
|
| 2012 |
Ma C, Piccinin S, Fabris S. Reaction mechanisms of water splitting and H2 evolution by a Ru(II)-pincer complex identified with Ab initio metadynamics simulations Acs Catalysis. 2: 1500-1506. DOI: 10.1021/Cs300350B |
0.384 |
|
| 2011 |
Piccinin S, Fabris S. A first principles study of water oxidation catalyzed by a tetraruthenium-oxo core embedded in polyoxometalate ligands. Physical Chemistry Chemical Physics : Pccp. 13: 7666-74. PMID 21340092 DOI: 10.1039/C0Cp01915A |
0.417 |
|
| 2011 |
Nguyen NL, Piccinin S, De Gironcoli S. Stability of intermediate states for ethylene epoxidation on Ag-Cu alloy catalyst: A first-principles investigation Journal of Physical Chemistry C. 115: 10073-10079. DOI: 10.1021/Jp200489E |
0.371 |
|
| 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 |
0.369 |
|
| 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 |
0.332 |
|
| 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 |
0.382 |
|
| 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 |
0.402 |
|
| 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 |
0.403 |
|
| 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 |
0.426 |
|
| 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 |
0.391 |
|
| 2005 |
Gebauer R, Piccinin S, Car R. Quantum collision current in electronic circuits. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1727-30. PMID 16144008 DOI: 10.1002/Cphc.200400642 |
0.423 |
|
| 2003 |
Piccinin S, Selloni A, Scandolo S, Car R, Scoles G. Electronic properties of metal-molecule-metal systems at zero bias: A periodic density functional study Journal of Chemical Physics. 119: 6729-6735. DOI: 10.1063/1.1602057 |
0.517 |
|
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