Transition metal atoms on different alumina phases: The role of subsurface sites on catalytic activity

Isolated dual transition metal atoms (Ni and Fe) were uniformly embedded into graphitic carbon nitrideviaa metal–Nxbond, resulting in highly efficient catalytic activity due to the electronic structure reconfiguration.

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Role of the presence of transition-metal atoms at the antisites in CrAs, CrSe and VAs zinc-blende compounds

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2007.05.039 ◽

2008 ◽

Vol 320 (3-4) ◽

pp. 197-203 ◽

Cited By ~ 4

Author(s):

K. Özdog˜an ◽

I. Galanakis ◽

E. Şaşıog˜lu ◽

B. Aktaş

Keyword(s):

Transition Metal ◽

Zinc Blende ◽

Metal Atoms ◽

Transition Metal Atoms

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Investigation of the role of 3d transition metal atoms (M=Ti–Ni) in a matrix by first principles electronic structure calculations

Physica B Condensed Matter ◽

10.1016/j.physb.2004.12.019 ◽

2005 ◽

Vol 358 (1-4) ◽

pp. 7-13 ◽

Cited By ~ 5

Author(s):

G. Pari ◽

A. Mookerjee ◽

A.K. Bhattacharyya

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

First Principles ◽

Electronic Structure Calculations ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Structure Calculations

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Doping anatase TiO2 with group V-b and VI-b transition metal atoms: a hybrid functional first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/c6cp06882k ◽

2017 ◽

Vol 19 (3) ◽

pp. 1945-1952 ◽

Cited By ~ 16

Author(s):

Masahiko Matsubara ◽

Rolando Saniz ◽

Bart Partoens ◽

Dirk Lamoen

Keyword(s):

Transition Metal ◽

First Principles ◽

Density Functional ◽

Hybrid Functional ◽

Functional Theory ◽

Group V ◽

Metal Atoms ◽

Transition Metal Atoms ◽

P Type

We investigate the role of transition metal atoms of group V-b (V, Nb, and Ta) and VI-b (Cr, Mo, and W) as n- or p-type dopants in anatase TiO2 using thermodynamic principles and density functional theory with the HSE06 hybrid functional.

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Tuning the structure and catalytic activity of Ru nanoparticle catalysts by single 3d transition-metal atoms in Ru12–metalloporphyrin precursors

Chemical Communications ◽

10.1039/c7cc09862f ◽

2018 ◽

Vol 54 (38) ◽

pp. 4842-4845 ◽

Cited By ~ 1

Author(s):

Satoshi Muratsugu ◽

Atsuki Yamaguchi ◽

Gen-ichi Yokota ◽

Tomoaki Maeno ◽

Mizuki Tada

Keyword(s):

Catalytic Activity ◽

Transition Metal ◽

Significant Influence ◽

Central Position ◽

Nanoparticle Catalysts ◽

Ru Nanoparticles ◽

Metal Atoms ◽

Transition Metal Atoms

The single 3d metal atoms at the central position of the Ru12–metalloporphyrin complex precursors exerted a significant influence on the structure and hydrogenation performance of the Ru nanoparticles on the SiO2 surface.

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