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

2016 ◽  
Vol 607 ◽  
pp. 67-72 ◽  
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

scholarly journals Correction: Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study

2021 ◽  
Author(s):  
Ho Ngoc Nam ◽  
Ryo Yamada ◽  
Haruki Okumura ◽  
Tien Quang Nguyen ◽  
Katsuhiro Suzuki ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transport Properties ◽  
Thermoelectric Material ◽  
First Principles ◽  
Defect Formation ◽  
Chem Phys ◽  
Intrinsic Defect ◽  
Transition Metal Doping ◽  
Metal Doping ◽  
First Principles Study

Correction for ‘Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study’ by Ho Ngoc Nam et al., Phys. Chem. Chem. Phys., 2021, DOI: 10.1039/d0cp06624a.

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

2011 ◽  
Vol 3 (4) ◽  
pp. 1186-1194 ◽  
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

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

ChemPhysChem ◽  
2007 ◽  
Vol 8 (13) ◽  
pp. 1979-1987 ◽  
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

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

RSC Advances ◽  
2015 ◽  
Vol 5 (66) ◽  
pp. 53497-53503 ◽  
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.

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

2008 ◽  
Vol 77 (3) ◽  
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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