Density Functional Theory Study of Graphene-based Nickel Oxide Composites for Hydrogen Storage

Egyptian Journal of Solids ◽

10.21608/ejs.2017.148264 ◽

2017 ◽

Vol 40 (1) ◽

pp. 69-77

Keyword(s):

Density Functional Theory ◽

Hydrogen Storage ◽

Nickel Oxide ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxide Composites

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Density functional theory study on hydrogen storage capacity of yttrium decorated graphyne nanotube

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2020.01.249 ◽

2020 ◽

Vol 45 (18) ◽

pp. 10797-10805 ◽

Author(s):

Yang Liu ◽

Fang Lu ◽

Shuxi Gao ◽

Huahong Shi ◽

Yuliang Mai ◽

...

Keyword(s):

Density Functional Theory ◽

Hydrogen Storage ◽

Density Functional ◽

Storage Capacity ◽

Density Functional Theory Study ◽

Hydrogen Storage Capacity ◽

Functional Theory

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Methane activation on nickel oxide clusters with a concerted mechanism: a density functional theory study of the effect of silica support

Journal of Molecular Modeling ◽

10.1007/s00894-016-2947-7 ◽

2016 ◽

Vol 22 (4) ◽

Author(s):

Yanyan Xi ◽

Bili Chen ◽

Xufeng Lin ◽

Chuangye Wang ◽

Hui Fu

Keyword(s):

Density Functional Theory ◽

Nickel Oxide ◽

Density Functional ◽

Methane Activation ◽

Silica Support ◽

Density Functional Theory Study ◽

Functional Theory ◽

Concerted Mechanism

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Density Functional Theory study of the hydrogen storage in a vacancy zone of an iron–nickel cell

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2013.12.039 ◽

2014 ◽

Vol 39 (16) ◽

pp. 8744-8748 ◽

Author(s):

G. Canto ◽

I. Salazar-Ehuan ◽

J. González-Sánchez ◽

A. Tapia ◽

R. Quijano ◽

...

Keyword(s):

Density Functional Theory ◽

Hydrogen Storage ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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The effect of a silica support: a density functional theory study of the C-H bond activation of ethane on a nickel oxide cluster

Journal of Physical Organic Chemistry ◽

10.1002/poc.3509 ◽

2015 ◽

Vol 29 (3) ◽

pp. 134-144 ◽

Author(s):

Xufeng Lin ◽

Yanyan Xi ◽

David L. Phillips ◽

Wenyue Guo

Keyword(s):

Density Functional Theory ◽

Nickel Oxide ◽

Density Functional ◽

Bond Activation ◽

Silica Support ◽

Density Functional Theory Study ◽

Oxide Cluster ◽

Functional Theory

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A density functional theory study on the effect of silica support: Methane activation on nickel oxide clusters through a radical mechanism

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2015.12.006 ◽

2016 ◽

Vol 1076 ◽

pp. 65-73 ◽

Author(s):

Yanyan Xi ◽

Bili Chen ◽

Xufeng Lin ◽

Hui Fu ◽

Chuangye Wang

Keyword(s):

Density Functional Theory ◽

Nickel Oxide ◽

Density Functional ◽

Methane Activation ◽

Radical Mechanism ◽

Silica Support ◽

Density Functional Theory Study ◽

Functional Theory

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Hydrogen Storage in Martensite Ti–Zr–Ni Alloy: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/jp4101448 ◽

2013 ◽

Vol 117 (51) ◽

pp. 26914-26920 ◽

Author(s):

Katarina Batalović ◽

Vasil Koteski ◽

Dragica Stojić

Keyword(s):

Density Functional Theory ◽

Hydrogen Storage ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Density Functional Theory Study on Li-Decorated B12N12 Cage for Hydrogen Storage Behavior

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201205091 ◽

2012 ◽

Vol 28 (07) ◽

pp. 1721-1725 ◽

Author(s):

XU Wen-Jie ◽

◽

HU Zi-Yu ◽

SHAO Xiao-Hong

Keyword(s):

Density Functional Theory ◽

Hydrogen Storage ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Storage Behavior

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Density functional theory study of hydrogen storage on Ni-doped C59X (X = B, N) heterofullerene

Molecular Physics ◽

10.1080/00268976.2016.1139208 ◽

2016 ◽

Vol 114 (9) ◽

pp. 1539-1558 ◽

Author(s):

A. M. El Mahdy ◽

H. O. Taha ◽

M. A. Kamel ◽

F. EL Shemy

Keyword(s):

Density Functional Theory ◽

Hydrogen Storage ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of the mechanism for Ni(NHC)2 catalyzed dehydrogenation of ammonia–borane for chemical hydrogen storage

Journal of Organometallic Chemistry ◽

10.1016/j.jorganchem.2009.04.018 ◽

2009 ◽

Vol 694 (17) ◽

pp. 2831-2838 ◽

Author(s):

Xinzheng Yang ◽

Michael B. Hall

Keyword(s):

Density Functional Theory ◽

Hydrogen Storage ◽

Density Functional ◽

Ammonia Borane ◽

Density Functional Theory Study ◽

Functional Theory ◽

Chemical Hydrogen Storage

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Exploring Promising Catalysts for Chemical Hydrogen Storage in Ammonia Borane: A Density Functional Theory Study

Catalysts ◽

10.3390/catal7050140 ◽

2017 ◽

Vol 7 (5) ◽

pp. 140 ◽

Author(s):

Sateesh Bandaru ◽

Niall English ◽

Andrew Phillips ◽

J. MacElroy

Keyword(s):

Density Functional Theory ◽

Hydrogen Storage ◽

Density Functional ◽

Ammonia Borane ◽

Density Functional Theory Study ◽

Functional Theory ◽

Chemical Hydrogen Storage

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