Density functional study of the charge on Aun clusters (n=1–7) supported on a partially reduced rutile TiO2(110): Are all clusters negatively charged?

Steeve Chrétien; Horia Metiu

doi:10.1063/1.2709886

Density functional study of the charge on Aun clusters (n=1–7) supported on a partially reduced rutile TiO2(110): Are all clusters negatively charged?

The Journal of Chemical Physics ◽

10.1063/1.2709886 ◽

2007 ◽

Vol 126 (10) ◽

pp. 104701 ◽

Cited By ~ 56

Author(s):

Steeve Chrétien ◽

Horia Metiu

Keyword(s):

Density Functional ◽

Functional Study ◽

Rutile Tio2 ◽

Density Functional Study

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Water adsorption on rutile TiO2(110) for applications in solar hydrogen production: A systematic hybrid-exchange density functional study

Physical Review B ◽

10.1103/physrevb.86.045302 ◽

2012 ◽

Vol 86 (4) ◽

Cited By ~ 24

Author(s):

M. Patel ◽

G. Mallia ◽

L. Liborio ◽

N. M. Harrison

Keyword(s):

Hydrogen Production ◽

Density Functional ◽

Water Adsorption ◽

Functional Study ◽

Solar Hydrogen ◽

Rutile Tio2 ◽

Density Functional Study ◽

Solar Hydrogen Production

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Publisher’s Note: “Density functional study of the interaction between small Au clusters, Aun (n=1−7) and the rutile TiO2 surface. I. Adsorption on the stoichiometric surface” [J. Chem. Phys. 127, 084704 (2007)]

The Journal of Chemical Physics ◽

10.1063/1.2789414 ◽

2007 ◽

Vol 127 (14) ◽

pp. 149902 ◽

Cited By ~ 2

Author(s):

Steeve Chrétien ◽

Horia Metiu

Keyword(s):

Density Functional ◽

Chem Phys ◽

Functional Study ◽

Tio2 Surface ◽

Rutile Tio2 ◽

Density Functional Study ◽

Au Clusters

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Density Functional Study of the CO Oxidation on a Doped Rutile TiO2(110): Effect of Ionic Au in Catalysis

Catalysis Letters ◽

10.1007/s10562-005-0014-6 ◽

2006 ◽

Vol 107 (3-4) ◽

pp. 143-147 ◽

Cited By ~ 86

Author(s):

Steeve Chrétien ◽

Horia Metiu

Keyword(s):

Co Oxidation ◽

Density Functional ◽

Functional Study ◽

Rutile Tio2 ◽

Density Functional Study

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Density functional study of the interaction between small Au clusters, Aun (n=1–7) and the rutile TiO2 surface. II. Adsorption on a partially reduced surface

The Journal of Chemical Physics ◽

10.1063/1.2806802 ◽

2007 ◽

Vol 127 (24) ◽

pp. 244708 ◽

Cited By ~ 42

Author(s):

Steeve Chrétien ◽

Horia Metiu

Keyword(s):

Density Functional ◽

Functional Study ◽

Tio2 Surface ◽

Rutile Tio2 ◽

Density Functional Study ◽

Au Clusters ◽

Reduced Surface

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Density functional study of the interaction between small Au clusters, Aun (n=1–7) and the rutile TiO2 surface. I. Adsorption on the stoichiometric surface

The Journal of Chemical Physics ◽

10.1063/1.2770462 ◽

2007 ◽

Vol 127 (8) ◽

pp. 084704 ◽

Cited By ~ 47

Author(s):

Steeve Chrétien ◽

Horia Metiu

Keyword(s):

Density Functional ◽

Functional Study ◽

Tio2 Surface ◽

Rutile Tio2 ◽

Density Functional Study ◽

Au Clusters

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Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

Journal of Computational Chemistry ◽

10.1002/jcc.5 ◽

1996 ◽

Vol 17 (16) ◽

pp. 1848-1856 ◽

Cited By ~ 2

Author(s):

Guntram Rauhut

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of the First-Row Transition-Metal Monoxides*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1996.1.1.039 ◽

1996 ◽

Vol 1 (1) ◽

pp. 39-49

Author(s):

J. Piechota ◽

M. Suffczyński

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Predicted structures and electronic properties of gallium-indium clusters GamInn–m (n = 4, 6, 8 and m < n): A density functional study

Журнал структурной химии ◽

10.26902/jsc20180501 ◽

2018 ◽

Vol 59 (5) ◽

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: A comparative density functional study

The Journal of Chemical Physics ◽

10.1063/1.2831583 ◽

2008 ◽

Vol 128 (9) ◽

pp. 094307 ◽

Cited By ~ 51

Author(s):

Ellie L. Uzunova ◽

Hans Mikosch ◽

Georgi St. Nikolov

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

3D Elements

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Density functional study of non-isothermal hard sphere fluids

Molecular Physics ◽

10.1080/00268976.2021.1875077 ◽

2021 ◽

pp. e1875077

Author(s):

Wenhan Jia ◽

Isamu Kusaka

Keyword(s):

Hard Sphere ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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