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Noboru Takeuchi
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Relativistic effects on ground state properties of 4d and 5d transition metals
C Elsasser, N Takeuchi, KM Ho, CT Chan, P Braun, M Fahnle
Journal of Physics: Condensed Matter 2 (19), 4371, 1990
2391990
Au (111): A theoretical study of the surface reconstruction and the surface electronic structure
N Takeuchi, CT Chan, KM Ho
Physical Review B 43 (17), 13899, 1991
2201991
First-principles calculations of the ground-state properties and stability of ScN
N Takeuchi
Physical Review B 65 (4), 045204, 2002
1952002
Do we know the true structure of Ge (111) c (2× 8)?
N Takeuchi, A Selloni, E Tosatti
Physical review letters 69 (4), 648, 1992
1281992
First principles calculations of the electronic properties of bulk Cu2O, clean and doped with Ag, Ni, and Zn
A Martı́nez-Ruiz, MG Moreno, N Takeuchi
Solid State Sciences 5 (2), 291-295, 2003
1102003
First principles calculations of the ground-state properties and structural phase transformation in CdO
RJ Guerrero-Moreno, N Takeuchi
Physical Review B 66 (20), 205205, 2002
1092002
Ab initio total energy calculations of copper nitride: the effect of lattice parameters and Cu content in the electronic properties
MG Moreno-Armenta, A Martı́nez-Ruiz, N Takeuchi
Solid State Sciences 6 (1), 9-14, 2004
1042004
Surface reaction of alkynes and alkenes with H-Si (111): A density functional theory study
N Takeuchi, Y Kanai, A Selloni
Journal of the American Chemical Society 126 (48), 15890-15896, 2004
1032004
Metallization and incomplete melting of a semiconductor surface at high temperature
N Takeuchi, A Selloni, E Tosatti
Physical review letters 72 (14), 2227, 1994
891994
Theoretical study of noble-metal (100) surface reconstructions using first-principles techniques
N Takeuchi, CT Chan, KM Ho
Physical review letters 63 (12), 1273, 1989
881989
First principles calculations of the structural and electronic properties of zinc sulfide nanowires
GH Cocoletzi, N Takeuchi
Quantum Matter 2 (5), 382-387, 2013
792013
First principles calculations of the ground state properties and structural phase transformation in YN
L Mancera, JA Rodriguez, N Takeuchi
Journal of Physics: Condensed Matter 15 (17), 2625, 2003
762003
Understanding the selectivity of the oxygen reduction reaction at the atomistic level on nitrogen‐doped graphitic carbon materials
HN Fernandez‐Escamilla, J Guerrero‐Sanchez, E Contreras, ...
Advanced Energy Materials 11 (3), 2002459, 2021
752021
First-principles calculations of the structural and electronic properties of Cu3MN compounds with M= Ni, Cu, Zn, Pd, Ag, and Cd
MG Moreno-Armenta, WL Pérez, N Takeuchi
Solid state sciences 9 (2), 166-172, 2007
732007
First-principles calculations of equilibrium ground-state properties of Au and Ag
N Takeuchi, CT Chan, KM Ho
Physical Review B 40 (3), 1565, 1989
711989
Reconstruction of the (100) Surfaces of Au and Ag
N Takeuchi, CT Chan, KM Ho
Physical Review B 43 (18), 14363, 1991
661991
Controlling selectivity in unsaturated aldehyde hydrogenation using single-site alloy catalysts
Y Cao, B Chen, J Guerrero-Sánchez, I Lee, X Zhou, N Takeuchi, F Zaera
ACS Catalysis 9 (10), 9150-9157, 2019
642019
Ab initio molecular-dynamics study of structural, dynamical, and electronic properties of liquid Ge
N Takeuchi, IL Garzón
Physical Review B 50 (12), 8342, 1994
621994
Yttrium nitride thin films grown by reactive laser ablation
W De La Cruz, JA Dıaz, L Mancera, N Takeuchi, G Soto
Journal of Physics and Chemistry of Solids 64 (11), 2273-2279, 2003
612003
Kinetic Study of the Hydrogenation of Unsaturated Aldehydes Promoted by CuPtx/SBA-15 Single-Atom Alloy (SAA) Catalysts
Y Cao, J Guerrero-Sańchez, I Lee, X Zhou, N Takeuchi, F Zaera
ACS Catalysis 10 (5), 3431-3443, 2020
592020
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