Multiscale study of hydrogen adsorption, diffusion, and desorption on Li-doped phthalocyanine covalent organic frameworks

Journal of Physical Chemistry C

Volumn 116, Issue 30, 2012, Pages 15908-15917

  Guo, Jing Hua ^a   Zhang, Hong ^a   Liu, Zhi Pan ^b   Cheng, Xin Lu ^a  

^a SICHUAN UNIVERSITY   (China)

^b FUDAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; COVALENT ORGANIC FRAMEWORKS; DESORPTION KINETICS; DESORPTION PROCESS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GASPHASE; GRAVIMETRIC DENSITY; HYDROGEN ADSORPTION; HYDROGEN STORAGE CAPACITIES; KINETIC MONTE CARLO SIMULATION; KMC SIMULATIONS; LI ATOMS; MIGRATION ENERGY; MODIFICATION METHODS; MULTISCALES; OPTIMUM CONDITIONS;

ADSORPTION; BINDING ENERGY; CALCULATIONS; HYDROGEN; HYDROGEN STORAGE; MOLECULES; NITROGEN COMPOUNDS;

DESORPTION;

EID: 84864480159     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp305949q     Document Type: Article

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