Construction of transition metal-decorated boron doped twin-graphene for hydrogen storage: A theoretical prediction

Fuel ◽  
2021 ◽  
Vol 304 ◽  
pp. 121351
Author(s):  
Shuai Dong ◽  
Erfei Lv ◽  
Jinhui Wang ◽  
Chaoqun Li ◽  
Kai Ma ◽  
...  
Keyword(s):  
Transition Metal ◽  
Theoretical Prediction ◽  
Hydrogen Storage ◽  
Boron Doped

Hydrogen storage on metal decorated pristine siligene and metal decorated boron-doped siligene

2021 ◽  
Vol 293 ◽  
pp. 129743
Author(s):  
Brandom Jhoseph Cid ◽  
Akari Narayama Sosa ◽  
Álvaro Miranda ◽  
Luis A. Pérez ◽  
Fernando Salazar ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Boron Doped

Theoretical Prediction of Hydrogen Storage on ZnO Sheet

2011 ◽  
Vol 115 (18) ◽  
pp. 9053-9058 ◽  
Author(s):  
H. Si ◽  
L. J. Peng ◽  
James R. Morris ◽  
B. C. Pan
Keyword(s):  
Theoretical Prediction ◽  
Hydrogen Storage

Hydrogen storage in boron-doped carbon nanotubes: Effect of dopant concentration

2021 ◽  
Author(s):  
Shrilekha V. Sawant ◽  
Manishkumar D. Yadav ◽  
Seemita Banerjee ◽  
Ashwin W. Patwardhan ◽  
Jyeshtharaj B. Joshi ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Hydrogen Storage ◽  
Dopant Concentration ◽  
Boron Doped

Hydrogen storage on bare Cu atom and Cu-functionalized boron-doped graphene: A first principles study

2017 ◽  
Vol 42 (7) ◽  
pp. 4233-4243 ◽  
Author(s):  
Omar Faye ◽  
Ubong Eduok ◽  
Jerzy Szpunar ◽  
Barbara Szpunar ◽  
Almoustapha Samoura ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
First Principles Study ◽  
Boron Doped ◽  
Doped Graphene

scholarly journals σ-Aromaticity in polyhydride complexes of Ru, Ir, Os, and Pt

2016 ◽  
Vol 18 (17) ◽  
pp. 11644-11652 ◽  
Author(s):  
Elisa Jimenez-Izal ◽  
Anastassia N. Alexandrova
Keyword(s):  
Transition Metal ◽  
Hydrogen Storage ◽  
Organic Synthesis ◽  
Metal Hydrides ◽  
Transition Metal Hydrides

Transition-metal hydrides are essential for catalysis, organic synthesis, and hydrogen storage. In this work we study IrH5(PPh3)2, (RuH5(PiPr3)2)−, (OsH5(PiPr3)2)−, and OsH4(PPhMe2)3 polyhydride complexes, where the metal is five-fold coordinated in-plane. The unusual coordination of these compounds can be explained by σ-aromaticity.

A DFT investigation on group 8B transition metal-doped silicon carbide nanotubes for hydrogen storage application

2018 ◽  
Vol 439 ◽  
pp. 494-505 ◽  
Author(s):  
Chanukorn Tabtimsai ◽  
Vithaya Ruangpornvisuti ◽  
Sarawut Tontapha ◽  
Banchob Wanno
Keyword(s):  
Silicon Carbide ◽  
Transition Metal ◽  
Hydrogen Storage ◽  
Silicon Carbide Nanotubes ◽  
Doped Silicon ◽  
Metal Doped
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