scholarly journals Hydrogen Adsorption on Platinum–Gold Bimetallic Nanoparticles: A Density Functional Theory Study

2013 ◽  
Vol 117 (29) ◽  
pp. 15050-15060 ◽  
Author(s):  
Minmin Hu ◽  
Douglas P. Linder ◽  
Marco Buongiorno Nardelli ◽  
Alberto Striolo
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Hydrogen Adsorption ◽  
Bimetallic Nanoparticles ◽  
Density Functional Theory Study ◽  
Functional Theory

Impact of position and number of boron atom substitution on hydrogen uptake capacity of Li-decorated pentalene

2017 ◽  
Vol 19 (1) ◽  
pp. 681-694 ◽  
Author(s):  
Priyanka Tavhare ◽  
Amol Deshmukh ◽  
Ajay Chaudhari
Keyword(s):  
Density Functional Theory ◽  
Ab Initio ◽  
Boron Atom ◽  
Density Functional ◽  
Hydrogen Adsorption ◽  
Hydrogen Uptake ◽  
Density Functional Theory Study ◽  
Uptake Capacity ◽  
Functional Theory

We have performed an ab initio and density functional theory study of the hydrogen adsorption on a lithium (Li)-decorated pentalene (C8H6Li2) complex.

Sign in / Sign up

Export Citation Format

Share Document