Hydrogen adsorption on Ge52-, Ge92- and Sn92- Zintl clusters: A DFT study

2021 ◽  
pp. 113191
Author(s):  
Hasnain Sajid ◽  
Sana Malik ◽  
Umer Rashid ◽  
Tariq Mahmood ◽  
Khurshid Ayub
Keyword(s):  
Hydrogen Adsorption ◽  
Dft Study ◽  
Zintl Clusters

scholarly journals Hydrogen adsorption on MoS2-surfaces: a DFT study on preferential sites and the effect of sulfur and hydrogen coverage

2017 ◽  
Vol 19 (24) ◽  
pp. 16231-16241 ◽  
Author(s):  
Rasmus Kronberg ◽  
Mikko Hakala ◽  
Nico Holmberg ◽  
Kari Laasonen
Keyword(s):  
Hydrogen Adsorption ◽  
Structural Parameters ◽  
Dft Study ◽  
Structure Property ◽  
Property Relations

H-Adsorption on MoS2-surfaces is studied as a function of structural parameters and an assessment of the intricate structure–property relations is conducted.

DFT study of the hydrogen adsorption and storage on Ni4 cluster embedded in multivacancy graphene

2020 ◽  
Vol 45 (55) ◽  
pp. 30805-30817
Author(s):  
V. Orazi ◽  
R.E. Ambrusi ◽  
J.M. Marchetti ◽  
M.E. Pronsato
Keyword(s):  
Hydrogen Adsorption ◽  
Dft Study ◽  
And Storage

Exploring enhanced hydrogen adsorption on Ti doped Al nanoclusters: A DFT study

2019 ◽  
Vol 518 ◽  
pp. 123-133 ◽  
Author(s):  
Bishwajit Boruah ◽  
Bulumoni Kalita
Keyword(s):  
Hydrogen Adsorption ◽  
Dft Study

A DFT study of hydrogen adsorption on Ca decorated hexagonal B36 with van der Waals corrections

2019 ◽  
Vol 114 ◽  
pp. 113576 ◽  
Author(s):  
Pingping Liu ◽  
Fangming Liu ◽  
Yuan Peng ◽  
Qiming Wang ◽  
Ren Juan
Keyword(s):  
Hydrogen Adsorption ◽  
Van Der Waals ◽  
Dft Study

DFT Study of Hydrogen Adsorption On the Monoclinic WO3 (001) Surface

2012 ◽  
Vol 116 (19) ◽  
pp. 10672-10679 ◽  
Author(s):  
Fenggong Wang ◽  
Cristiana Di Valentin ◽  
Gianfranco Pacchioni
Keyword(s):  
Hydrogen Adsorption ◽  
Dft Study

scholarly journals Hydrogen Adsorption on Fe-based Metal Organic Frameworks: DFT Study

2017 ◽  
Vol 170 ◽  
pp. 136-140 ◽  
Author(s):  
Mohammad Kemal Agusta ◽  
Adhitya Gandaryus Saputro ◽  
Viny Veronika Tanuwijaya ◽  
Novianto Nur Hidayat ◽  
Hermawan Kresno Dipojono
Keyword(s):  
Hydrogen Adsorption ◽  
Metal Organic Frameworks ◽  
Dft Study ◽  
Metal Organic

Hydrogen adsorption on TaSe2 monolayer doped with light metals: A DFT study

Vacuum ◽  
2021 ◽  
pp. 110775
Author(s):  
Shulin Yang ◽  
Daiyu Zhang ◽  
Gui Lei ◽  
Zhao Wang ◽  
Zhigao Lan ◽  
...  
Keyword(s):  
Hydrogen Adsorption ◽  
Dft Study ◽  
Light Metals

Hydrogen adsorption, absorption and diffusion on and in transition metal surfaces: A DFT study

2012 ◽  
Vol 606 (7-8) ◽  
pp. 679-689 ◽  
Author(s):  
Peter Ferrin ◽  
Shampa Kandoi ◽  
Anand Udaykumar Nilekar ◽  
Manos Mavrikakis
Keyword(s):  
Transition Metal ◽  
Metal Surfaces ◽  
Hydrogen Adsorption ◽  
Dft Study ◽  
Transition Metal Surfaces ◽  
And Diffusion
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