Synergetic Effects toward Catalysis and Confinement of Magnesium Hydride on Modified Graphene: A First-Principles Study

2017 ◽  
Vol 121 (34) ◽  
pp. 18401-18411 ◽  
Author(s):  
Jian Zhang ◽  
Guanglin Xia ◽  
Zaiping Guo ◽  
Dianwu Zhou
Keyword(s):  
First Principles ◽  
Magnesium Hydride ◽  
First Principles Study ◽  
Synergetic Effects ◽  
Modified Graphene

Modified Graphene Sheets as Promising Cathode Catalysts for Li–O2 Batteries: A First-Principles Study

2021 ◽  
Vol 125 (8) ◽  
pp. 4363-4370
Author(s):  
Yongsheng Yao ◽  
Juexian Cao ◽  
Wenjin Yin ◽  
Qi Zhang ◽  
Liwen Yang ◽  
...  
Keyword(s):  
First Principles ◽  
Graphene Sheets ◽  
Cathode Catalysts ◽  
First Principles Study ◽  
Modified Graphene

scholarly journals First-principles study on the piezoelectric properties of hydrogen modified graphene nanoribbons

2013 ◽  
Vol 62 (6) ◽  
pp. 063601
Author(s):  
Liu Yuan ◽  
Yao Jie ◽  
Chen Chi ◽  
Miao Ling ◽  
Jiang Jian-Jun
Keyword(s):  
First Principles ◽  
Piezoelectric Properties ◽  
Graphene Nanoribbons ◽  
First Principles Study ◽  
Modified Graphene

scholarly journals Hydrogen evolution reaction at the interfaces of two-dimensional lateral heterostructures: a first-principles study

RSC Advances ◽  
2020 ◽  
Vol 10 (63) ◽  
pp. 38484-38489
Author(s):  
Huimin Hu ◽  
Jin-Ho Choi
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
2D Materials ◽  
Two Dimensional ◽  
First Principles Study ◽  
Synergetic Effects

Owing to the synergetic effects of different two-dimensional (2D) materials, 2D heterostructures have recently attracted much attention in the field of catalysis.

Methane Adsorption Properties of Mn‐Modified Graphene: A First‐Principles Study

2020 ◽  
Vol 3 (6) ◽  
pp. 2000035 ◽  
Author(s):  
Yingjie Zhao ◽  
Yuhong Chen ◽  
Mingxia Song ◽  
Xiaocong Liu ◽  
Wenhui Xu ◽  
...  
Keyword(s):  
First Principles ◽  
Adsorption Properties ◽  
Methane Adsorption ◽  
First Principles Study ◽  
Modified Graphene

Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

2020 ◽  
Vol 22 (36) ◽  
pp. 20914-20921 ◽  
Author(s):  
Rajmohan Muthaiah ◽  
Jivtesh Garg
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
High Thermal Conductivity ◽  
Biaxial Strain ◽  
Length Scales ◽  
First Principles Study ◽  
Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

Sign in / Sign up

Export Citation Format

Share Document