Dehydrogenation Reaction for NaOH System: A First-Principles Study

Xin-Bo Zhang; Si-Qi Shi; Xue-Zhi Ke; Song Han; Hiroshi Shioyama; Nobuhiro Kuriyama; Tetsuhiko Kobayashi; Qiang Xu

doi:10.1002/cphc.200700403

Dehydrogenation Reaction for NaOH System: A First-Principles Study

ChemPhysChem ◽

10.1002/cphc.200700403 ◽

2007 ◽

Vol 8 (13) ◽

pp. 1979-1987 ◽

Cited By ~ 2

Author(s):

Xin-Bo Zhang ◽

Si-Qi Shi ◽

Xue-Zhi Ke ◽

Song Han ◽

Hiroshi Shioyama ◽

...

Keyword(s):

First Principles ◽

Dehydrogenation Reaction ◽

First Principles Study ◽

System A

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Vacancy-interface-helium interaction in Zr-Nb multi-layer system: A first-principles study

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2019.02.030 ◽

2019 ◽

Vol 518 ◽

pp. 11-20 ◽

Cited By ~ 7

Author(s):

H.S. Sen ◽

T. Polcar

Keyword(s):

First Principles ◽

Layer System ◽

First Principles Study ◽

System A

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Mechanism of Li Adsorption on Carbon Nanotube-Fullerene Hybrid System: A First-Principles Study

ACS Applied Materials & Interfaces ◽

10.1021/am200018w ◽

2011 ◽

Vol 3 (4) ◽

pp. 1186-1194 ◽

Cited By ~ 24

Author(s):

Wonsang Koh ◽

Ji Il Choi ◽

Kevin Donaher ◽

Seung Geol Lee ◽

Seung Soon Jang

Keyword(s):

Carbon Nanotube ◽

Hybrid System ◽

First Principles ◽

First Principles Study ◽

System A ◽

Li Adsorption

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Exploration of stable stoichiometries, physical properties and hardness in the Rh–Si system: a first-principles study

RSC Advances ◽

10.1039/c5ra08476h ◽

2015 ◽

Vol 5 (66) ◽

pp. 53497-53503 ◽

Cited By ~ 6

Author(s):

Jing-Jing Wang ◽

Andreas Hermann ◽

Xiao-Yu Kuang ◽

Yuan-Yuan Jin ◽

Cheng Lu ◽

...

Keyword(s):

Physical Properties ◽

First Principles ◽

First Principles Study ◽

System A ◽

System P

Exploration of stable stoichiometries of the Rh–Si system.

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Bridge structure for the graphene/Ni(111) system: A first principles study

Physical Review B ◽

10.1103/physrevb.77.035405 ◽

2008 ◽

Vol 77 (3) ◽

Cited By ~ 139

Author(s):

Miguel Fuentes-Cabrera ◽

M. I. Baskes ◽

Anatoli V. Melechko ◽

Michael L. Simpson

Keyword(s):

First Principles ◽

Bridge Structure ◽

First Principles Study ◽

System A

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Enhanced sensitivity of Graphene nanoribbon gas sensor for detection of Oxides of Nitrogen using Boron and Phosphorous co-doped system: A First Principles study

Sensors and Actuators A Physical ◽

10.1016/j.sna.2021.112897 ◽

2021 ◽

pp. 112897

Author(s):

Deji ◽

Jyoti R. ◽

B.C. Choudhary ◽

Rajender Singh ◽

Ramesh K. Sharma

Keyword(s):

Gas Sensor ◽

First Principles ◽

Graphene Nanoribbon ◽

Oxides Of Nitrogen ◽

First Principles Study ◽

Enhanced Sensitivity ◽

System A ◽

Co Doped

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Mechanical properties and chemical bonding of the Os–B system: A first-principles study

Acta Materialia ◽

10.1016/j.actamat.2012.04.015 ◽

2012 ◽

Vol 60 (10) ◽

pp. 4208-4217 ◽

Cited By ~ 28

Author(s):

Zong-Wei Ji ◽

Chao-Hao Hu ◽

Dian-Hui Wang ◽

Yan Zhong ◽

Jiong Yang ◽

...

Keyword(s):

Mechanical Properties ◽

Chemical Bonding ◽

First Principles ◽

First Principles Study ◽

System A

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The effect of co-existing cations on optical conductivity and absorption in Hf0.5Zr0.5O2 system: A first-principles study

Journal of Physics Conference Series ◽

10.1088/1742-6596/1153/1/012082 ◽

2019 ◽

Vol 1153 ◽

pp. 012082

Author(s):

Shibghatullah Muhammady ◽

Yudhi Kurniawan ◽

Suryana ◽

Ni'matul Azizah ◽

Yudi Darma

Keyword(s):

Optical Conductivity ◽

First Principles ◽

First Principles Study ◽

System A

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Vacancy effect on the generalized stacking fault energy of alloyed γ-Ni system: A first-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2019.05.009 ◽

2019 ◽

Vol 166 ◽

pp. 187-192 ◽

Cited By ~ 1

Author(s):

Peng Hu ◽

Wenyue Zhao ◽

Zhimei Sun

Keyword(s):

First Principles ◽

Stacking Fault ◽

Stacking Fault Energy ◽

First Principles Study ◽

System A ◽

Generalized Stacking Fault ◽

Generalized Stacking Fault Energy

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Influence of the different strains’ components on the uniaxial magnetic anisotropy parameters for a (Ga,Mn)As bulk system: A first-principles study

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2017.01.102 ◽

2017 ◽

Vol 432 ◽

pp. 396-403 ◽

Cited By ~ 3

Author(s):

M. Birowska

Keyword(s):

Magnetic Anisotropy ◽

First Principles ◽

Uniaxial Magnetic Anisotropy ◽

First Principles Study ◽

System A ◽

Bulk System ◽

Anisotropy Parameters ◽

Different Strains

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Effect of metal doping on structural characteristics of amorphous carbon system: A first-principles study

Thin Solid Films ◽

10.1016/j.tsf.2016.04.004 ◽

2016 ◽

Vol 607 ◽

pp. 67-72 ◽

Cited By ~ 10

Author(s):

Xiaowei Li ◽

Dong Zhang ◽

Kwang-Ryeol Lee ◽

Aiying Wang

Keyword(s):

Amorphous Carbon ◽

First Principles ◽

Structural Characteristics ◽

Metal Doping ◽

First Principles Study ◽

System A ◽

Carbon System

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