Effects of titanium-containing additives on the dehydrogenation properties of LiAlH 4: A computational and experimental study

Journal of Physical Chemistry C

Volumn 116, Issue 42, 2012, Pages 22327-22335

  Wohlwend, Jennifer L ^a,b   Amama, Placidus B ^a,c   Shamberger, Patrick J ^a   Varshney, Vikas ^a,b   Roy, Ajit K ^a   Fisher, Timothy S ^a,d  

^a AIR FORCE RESEARCH LABORATORY   (United States)

^b UNIVERSAL TECHNOLOGY CORPORATION   (United States)

^c UNIVERSITY OF DAYTON RESEARCH INSTITUTE   (United States)

^d PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DEHYDROGENATION PROPERTIES; DENSITY FUNCTIONAL THEORIES (DFT); ELECTRON DISTRIBUTIONS; ELECTRONIC STRUCTURE CALCULATIONS; EXPERIMENTAL INVESTIGATIONS; EXPERIMENTAL STUDIES; H-BINDING; METAL HYDRIDES; THERMAL STORAGE SYSTEM; TI ATOMS; TIO; TRANSIENT HEAT;

ACTIVATION ENERGY; ADSORPTION; ALUMINUM; ATOMS; BINDING ENERGY; CHARGE TRANSFER; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; HEAT STORAGE; HYDROGEN; HYDROGEN STORAGE; REDUCTION; SURFACES; TITANIUM; TITANIUM DIOXIDE;

ADDITIVES;

EID: 84867564727     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3050109     Document Type: Article

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