Kinetic Monte Carlo and density functional study of hydrogen diffusion in magnesium hydride MgH2

International Journal of Hydrogen Energy

Volumn 38, Issue 20, 2013, Pages 8350-8356

  Lakhal, M ^a   Bhihi, M ^a   Labrim, H ^b   Benyoussef, A ^a,c,d   Naji, S ^a,e   Belhaj, A ^f   Khalil, B ^a   Abdellaoui, M ^a   Mounkachi, O ^c   Loulidi, M ^a   Lkenz, A ^a  

^a MOHAMMED V UNIVERSITY   (Morocco)

^b National Centre for Energy   (Morocco)

^c Institute of Nanomaterials and Nanotechnology   (Morocco)

^d HASSAN II ACADEMY OF SCIENCE AND TECHNOLOGY   (Morocco)

^e IBB UNIVERSITY   (Yemen)

^f SULTAN MOULAY SLIMANE UNIVERSITY   (Morocco)

Author keywords

Activation energies; Diffusion mechanisms; First principle calculations; Hydrogen storage; Kinetic; Monte Carlo; Time of ad desorption

Indexed keywords

DIFFUSION MECHANISMS; FIRST PRINCIPLE CALCULATIONS; HIGH TEMPERATURE AND PRESSURE; KINETIC MONTE CARLO SIMULATION; MONTE CARLO; TEMPERATURE AND PRESSURES; THERMODYNAMICAL QUANTITIES; TIME OF AD/DESORPTION;

ACTIVATION ENERGY; ATOMS; COMPUTER SIMULATION; DIFFUSION; HYDRIDES; HYDROGEN STORAGE; MAGNESIUM;

KINETICS;

EID: 84879249583     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2013.04.157     Document Type: Article

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