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Yang, Bo, Cao, Xiao-Ming, Gong, Xue-Qing, Hu, P. (2012) A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2. Physical Chemistry Chemical Physics, 14 (11). 3741pp. doi:10.1039/c2cp23755e

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Reference TypeJournal (article/letter/editorial)
TitleA density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2
JournalPhysical Chemistry Chemical Physics
AuthorsYang, BoAuthor
Cao, Xiao-MingAuthor
Gong, Xue-QingAuthor
Hu, P.Author
Year2012Volume14
Issue11
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c2cp23755eSearch in ResearchGate
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Mindat Ref. ID4016695Long-form Identifiermindat:1:5:4016695:3
GUID0
Full ReferenceYang, Bo, Cao, Xiao-Ming, Gong, Xue-Qing, Hu, P. (2012) A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2. Physical Chemistry Chemical Physics, 14 (11). 3741pp. doi:10.1039/c2cp23755e
Plain TextYang, Bo, Cao, Xiao-Ming, Gong, Xue-Qing, Hu, P. (2012) A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2. Physical Chemistry Chemical Physics, 14 (11). 3741pp. doi:10.1039/c2cp23755e
In(2012) Physical Chemistry Chemical Physics Vol. 14 (11) Royal Society of Chemistry (RSC)

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Gong, Xue-Qing, Raval, R., Hu, P. (2005) CHx hydrogenation on Co(0001): A density functional theory study. The Journal of Chemical Physics, 122 (2). 24711pp. doi:10.1063/1.1829257
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Koga, Hiroaki, Tada, Kohei, Okumura, Mitsutaka (2015) Density Functional Theory Study of Active Oxygen at the Perimeter of Au/TiO2 Catalysts. The Journal of Physical Chemistry C, 119 (46). 25907-25916 doi:10.1021/acs.jpcc.5b07633
Bao, Shen-Yuan, Li, Dong-Zhi, Gong, Xue-Qing (2021) Photo-induced hydrophilicity at the ZnO(112Ì„0) surface: an evolutionary algorithm-aided density functional theory study. Physical Chemistry Chemical Physics, 23 (35) 19790-19794 doi:10.1039/d1cp02542b
Liu, Jialong, Cao, Xiao-Ming, Hu, P. (2014) Density functional theory study on the activation of molecular oxygen on a stepped gold surface in an aqueous environment: a new approach for simulating reactions in solution. Physical Chemistry Chemical Physics, 16 (9). 4176pp. doi:10.1039/c3cp54384f
Xia, Qi Ying, Xiao, He Ming, Ju, Xue Hai, Gong, Xue Dong (2004) Density Functional Theory Study of the Structures and Properties of (H2AlN3)n(n= 1−4) Clusters. The Journal of Physical Chemistry A, 108 (14). 2780-2786 doi:10.1021/jp0310450
Gong, Xue-Qing, Raval, R., Hu *, P. (2004) A density functional theory study on the water formation at high coverages and the water effect in the Fischer–Tropsch synthesis. Molecular Physics, 102. 993-1000 doi:10.1080/00268970410001723073
Santana, Juan A., Rösch, Notker (2012) Hydrogen adsorption on and spillover from Au- and Cu-supported Pt3 and Pd3 clusters: a density functional study. Physical Chemistry Chemical Physics, 14 (46). 16062pp. doi:10.1039/c2cp43080k
Cao, Xiao-Ming, Burch, Robbie, Hardacre, Christopher, Hu, P. (2012) Density Functional Theory Study on the Cleavage Mechanism of the Carbonyl Bond in Amides on Flat and Stepped Ru Surfaces: Hydrogen-Induced or Direct C–O Bond Breaking?. The Journal of Physical Chemistry C, 116 (35). 18713-18721 doi:10.1021/jp3024793
Gong, Xue-Qing, Raval, R., Hu, P. (2004) General Insight into CO Oxidation: A Density Functional Theory Study of the Reaction Mechanism on Platinum Oxides. Physical Review Letters, 93 (10). doi:10.1103/physrevlett.93.106104
 
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