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Fu, Qiang, Halck, Niels Bendtsen, Hansen, Heine Anton, García Lastra, Juan Maria, Vegge, Tejs (2017) Computational Study of Nb-Doped-SnO2/Pt Interfaces: Dopant Segregation, Electronic Transport, and Catalytic Properties. Chemistry of Materials, 29. 1641-1649 doi:10.1021/acs.chemmater.6b04879

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Reference TypeJournal (article/letter/editorial)
TitleComputational Study of Nb-Doped-SnO2/Pt Interfaces: Dopant Segregation, Electronic Transport, and Catalytic Properties
JournalChemistry of Materials
AuthorsFu, QiangAuthor
Halck, Niels BendtsenAuthor
Hansen, Heine AntonAuthor
García Lastra, Juan MariaAuthor
Vegge, TejsAuthor
Year2017 (February 28)Volume29
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.chemmater.6b04879Search in ResearchGate
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Mindat Ref. ID4311169Long-form Identifiermindat:1:5:4311169:9
GUID0
Full ReferenceFu, Qiang, Halck, Niels Bendtsen, Hansen, Heine Anton, García Lastra, Juan Maria, Vegge, Tejs (2017) Computational Study of Nb-Doped-SnO2/Pt Interfaces: Dopant Segregation, Electronic Transport, and Catalytic Properties. Chemistry of Materials, 29. 1641-1649 doi:10.1021/acs.chemmater.6b04879
Plain TextFu, Qiang, Halck, Niels Bendtsen, Hansen, Heine Anton, García Lastra, Juan Maria, Vegge, Tejs (2017) Computational Study of Nb-Doped-SnO2/Pt Interfaces: Dopant Segregation, Electronic Transport, and Catalytic Properties. Chemistry of Materials, 29. 1641-1649 doi:10.1021/acs.chemmater.6b04879
In(2017) Chemistry of Materials Vol. 29. American Chemical Society (ACS)

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Fu, Qiang, Colmenares Rausseo, Luis César, Martinez, Umberto, Dahl, Paul Inge, García Lastra, Juan Maria, Vullum, Per Erik, Svenum, Ingeborg-Helene, Vegge, Tejs (2015) Effect of Sb Segregation on Conductance and Catalytic Activity at Pt/Sb-Doped SnO2 Interface: A Synergetic Computational and Experimental Study. ACS Applied Materials & Interfaces, 7. 27782-27795 doi:10.1021/acsami.5b08966
Mathiesen, Nicolai Rask, Yang, Sheng, García-Lastra, Juan Maria, Vegge, Tejs, Siegel, Donald J. (2019) Charge Transport in Alkali-Metal Superoxides: A Systematic First-Principles Study. Chemistry of Materials, 31. 9156-9167 doi:10.1021/acs.chemmater.9b03592
Park, Haesun, Kumar, Nitin, Melander, Marko, Vegge, Tejs, Garcia Lastra, Juan Maria, Siegel, Donald J. (2018) Adiabatic and Nonadiabatic Charge Transport in Li–S Batteries. Chemistry of Materials, 30. 915-928 doi:10.1021/acs.chemmater.7b04618
Loftager, Simon, García-Lastra, Juan María, Vegge, Tejs (2016) A Density Functional Theory Study of the Ionic and Electronic Transport Mechanisms in LiFeBO3 Battery Electrodes. The Journal of Physical Chemistry C, 120 (33). 18355-18364 doi:10.1021/acs.jpcc.6b03456
Tripkovic, Vladimir, Hansen, Heine A., Garcia-Lastra, Juan M., Vegge, Tejs (2018) Comparative DFT+U and HSE Study of the Oxygen Evolution Electrocatalysis on Perovskite Oxides. The Journal of Physical Chemistry C, 122 (2). 1135-1147 doi:10.1021/acs.jpcc.7b07660
Wu, Tiantian, Deng, Qingming, Hansen, Heine Anton, Vegge, Tejs (2019) Mechanism of Water Splitting on Gadolinium-Doped CeO2(111): A DFT + U Study. The Journal of Physical Chemistry C, 123 (9). 5507-5517 doi:10.1021/acs.jpcc.8b12037
Tygesen, Alexander Sougaard, Chang, Jin Hyun, Vegge, Tejs, García-Lastra, Juan Maria (2020) Computational framework for a systematic investigation of anionic redox process in Li-rich compounds. npj Computational Materials, 6. doi:10.1038/s41524-020-0335-4
Qin, Xueping, Vegge, Tejs, Hansen, Heine Anton (2021) CO2 activation at Au(110)–water interfaces: An ab initio molecular dynamics study. The Journal of Chemical Physics, 155 (13) 134703pp. doi:10.1063/5.0066196
Bhowmik, Arghya, Hansen, Heine Anton, Vegge, Tejs (2017) Role of CO* as a Spectator in CO2 Electroreduction on RuO2. The Journal of Physical Chemistry C, 121 (34). 18333-18343 doi:10.1021/acs.jpcc.7b04242
Kristoffersen, Henrik H., Vegge, Tejs, Hansen, Heine Anton (2018) OH formation and H2 adsorption at the liquid water–Pt(111) interface. Chemical Science, 9. 6912-6921 doi:10.1039/c8sc02495b
Qin, Xueping, Vegge, Tejs, Hansen, Heine Anton (2023) Cation-Coordinated Inner-Sphere CO2 Electroreduction at Au–Water Interfaces. Journal of the American Chemical Society, 145 (3) 1897-1905 doi:10.1021/jacs.2c11643
 
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