Hydrogen Adsorption and Storage on Calcium- or Chromium-Decorated Norbornadiene: A First-Principles Study

Shu-Yuan Yu; Yanqiang Zhang; Cheng-Gen Zhang; Yaru Li; Jingke Hou

doi:10.1166/jctn.2016.4960

Hydrogen Adsorption and Storage on Calcium- or Chromium-Decorated Norbornadiene: A First-Principles Study

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2016.4960 ◽

2016 ◽

Vol 13 (5) ◽

pp. 3083-3088

Author(s):

Shu-Yuan Yu ◽

Yanqiang Zhang ◽

Cheng-Gen Zhang ◽

Yaru Li ◽

Jingke Hou

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study ◽

And Storage

Download Full-text

Hydrogen adsorption and storage of Ca-decorated graphene with topological defects: A first-principles study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2014.05.004 ◽

2014 ◽

Vol 63 ◽

pp. 45-51 ◽

Cited By ~ 19

Author(s):

Ling Ma ◽

Jian-Min Zhang ◽

Ke-Wei Xu ◽

Vincent Ji

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

Topological Defects ◽

First Principles Study ◽

And Storage

Download Full-text

Hydrogen adsorption and storage on palladium-decorated graphene with boron dopants and vacancy defects: A first-principles study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2014.09.022 ◽

2015 ◽

Vol 66 ◽

pp. 40-47 ◽

Cited By ~ 23

Author(s):

Ling Ma ◽

Jian-Min Zhang ◽

Ke-Wei Xu ◽

Vincent Ji

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

Vacancy Defects ◽

First Principles Study ◽

And Storage

Download Full-text

Hydrogen adsorption and storage of pristine and metal decorated hexagonal GaN monolayer: a first-principles study

Eleventh International Conference on Information Optics and Photonics (CIOP 2019) ◽

10.1117/12.2543645 ◽

2019 ◽

Author(s):

Guo-Xiang Chen ◽

Si-Qi Li ◽

Xiao-Bo Fan ◽

Jian-Min Zhang

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study ◽

And Storage

Download Full-text

First-principles study of hydrogen adsorption in metal-doped COF-10

The Journal of Chemical Physics ◽

10.1063/1.3503654 ◽

2010 ◽

Vol 133 (15) ◽

pp. 154706 ◽

Cited By ~ 21

Author(s):

Miao Miao Wu ◽

Qian Wang ◽

Qiang Sun ◽

Puru Jena ◽

Yoshiyuki Kawazoe

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study ◽

Metal Doped

Download Full-text

Hydrogen adsorption on c-ZrO2(111), t-ZrO2(101), and m-ZrO2(111) surfaces and their oxygen-vacancy defect for hydrogen sensing and storage: A first-principles investigation

Materials Letters ◽

10.1016/j.matlet.2021.130243 ◽

2021 ◽

pp. 130243

Author(s):

Monrada Petchmark ◽

Vithaya Ruangpornvisuti

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Hydrogen Adsorption ◽

Vacancy Defect ◽

Hydrogen Sensing ◽

And Storage

Download Full-text

REGULAR ARTICLE: Nitrogen and Hydrogen Adsorption on the Pyrite FeS2 (100) surface: First-Principles Study

Communications in Computational Chemistry ◽

10.4208/cicc.2017.v5.n3.3 ◽

2017 ◽

Vol 5 (3) ◽

pp. 78-85

Author(s):

Xiaolong Hu

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

Download Full-text

Hydrogen adsorption on L12-Al3X(X = Zr, Sc) surface and its diffusion in the bulk: A first-principles study

Vacuum ◽

10.1016/j.vacuum.2020.109680 ◽

2020 ◽

Vol 182 ◽

pp. 109680

Author(s):

Yu Liu ◽

XieYi Zhang ◽

Zheng-Bing Xiao ◽

YuanChun Huang

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

Download Full-text

A first-principles study of hydrogen adsorption on Ni-decorated defective GaN monolayer

Solid State Communications ◽

10.1016/j.ssc.2020.113951 ◽

2020 ◽

Vol 316-317 ◽

pp. 113951

Author(s):

Si-Qi Li ◽

Guo-Xiang Chen ◽

Xiao-Bo Fan ◽

Rui-Xue Wang ◽

Han-Xiao Li ◽

...

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

Download Full-text

New template for Li and Ca decoration and hydrogen adsorption on graphene-like SiC: A first-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2014.12.016 ◽

2015 ◽

Vol 99 ◽

pp. 150-155 ◽

Cited By ~ 7

Author(s):

Nahong Song ◽

Yusheng Wang ◽

Yafeng Zheng ◽

Jing Zhang ◽

Bin Xu ◽

...

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

Download Full-text

Hydrogen Adsorption of Mg-Doped Graphene Oxide: A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/jp308271b ◽

2013 ◽

Vol 117 (9) ◽

pp. 4337-4344 ◽

Cited By ~ 45

Author(s):

Chu Chen ◽

Jun Zhang ◽

Bei Zhang ◽

Hai Ming Duan

Keyword(s):

Graphene Oxide ◽

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study ◽

Doped Graphene ◽

Mg Doped

Download Full-text