Hydrogen desorption from ball milled MgH

DFT calculations of hydrogen diffusion and phase transformations in magnesium, Journal of Alloys and Compounds

Volume 644, 25 September 2015, Pages 371–377

13.M. A. Rafiee *Comparison of metal additives and Boron atom on MgH2 absorbing-desorbing characteristics using calculated NQCCs

Rafiee, M A. International Journal of Nano Dimension6.3 (Summer 2015): 289-295.

14. M. Lakhal^,M. Bhihi,A. Benyoussef^, A. El Kenz, M. Loulidi^,S. Naji^a, d International Journal of Hydrogen Energy Volume 40, Issue 18, 18 May 2015, Pages 6137–6144

The hydrogen ab/desorption kinetic properties of doped magnesium hydride MgH₂ systems by first principles calculations and kinetic Monte Carlo simulations

15. Ying Wang, Guang Liu, Cuihua An, Li Li,,Fangyuan Qiu, Prof. Yijing Wang^*,Lifang Jiao,Prof. Huatang Yuan Chemistry – An Asian Journal Volume 9, Issue 9, pages 2576–2583, September 2014

Bimetallic NiCo Functional Graphene: An Efficient Catalyst for Hydrogen-Storage Properties of MgH₂
16.Ying Wang,   Cuihua An,   Yijing Wang,   Yanan Huang,  Chengcheng Chen,   Li-Fang Jiao and   Huatang Yuan  

Core-Shell Co@C catalyzed MgH2: Enhanced dehydrogenation properties and its catalytic mechanism

J. Mater. Chem. A, 2014, Accepted Manuscript

17.Si-Chen Zhou,Rong-Kai Pan,Tao-Peng Luo,Dong-Hai Wu,Liu-Ting Wei,Bi-Yu Tang

Ab initio study of effects of Al and Y co-doping on destabilizing of MgH₂ International Journal of Hydrogen Energy http://dx.doi.org/10.1016/j.ijhydene.2014.04.007
18.Mohammed Zarshenas, R Ahmed, Mohammed Benali Kanoun, Bakhtiar ul Haq, Ahmad Radzi Mat Isa^, Souraya Goumri-Said³

First principle investigations of the physical properties of hydrogen-rich MgH₂

Phys. Scr. 88 065704. doi:10.1088/0031-8949/88/06/065704 (2013)
19.Zhao, Xin. Han, Shumin, Zhu, Xilin, Liu, Baozhong, Chen, Xiaocui ; Liu, Yanqing, Wang, Ruibing Effect of LaH3-TiH2 composite additive on the hydrogen storage properties of Mg2Ni alloys, JOURNAL OF ALLOYS AND COMPOUNDS   581 (2013) 270-274  
20.A.H. Reshak, MgH₂ and LiH metal hydrides crystals as novel hydrogen storage material: Electronic structure and optical properties International Journal of Hydrogen Energy 38(27) (2013)11946-11954
21. Jianxin Zou, Hao Guo, Xiaoqin Zeng, Si Zhou, Xi Chen, Wenjiang Ding 

Hydrogen storage properties of Mg–TM–La (TM = Ti, Fe, Ni) ternary composite powders prepared through arc plasma method

Int.J.Hyd. Energy 38(21) (2013) 8852 -8862

22.M. Lakhal, M. Bhihi, H. Labrim, A. Benyoussef, S. Naji, A. Belhaj, B. Khalil, M. Abdellaoui, O. Mounkachi, M. Loulidi, A. El kenz

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

Int.J.Hyd. Energy 38 (2013) 8350 -8356

23.Jianxin Zou, Xiaoqin Zeng  Yanjun Ying^, Xi Chen^,Hao GuoSi Zhou, Wenjiang Ding

Study on the hydrogen storage properties of core–shell structured Mg–RE (RE = Nd, Gd, Er) nano-composites synthesized through arc plasma method International Journal of Hydrogen Energy

http://dx.doi.org/10.1016/j.ijhydene.2012.11.145

24.Stéphane PHETSINORATH Jian-xin ZOU, Xiao-qin ZENG^, Hai-quan SUN^, Wen-jiang DING, Preparation and hydrogen storage properties of ultrafine pure Mg and Mg–Ti particles Transactions of Nonferrous Metals Society of China, Volume 22, Issue 8, August 2012, Pages 1849-1854

25. M. Bhihi, M. Lakhal, H. Labrim, A. Benyoussef, A. El Kenz, O. Mounkachi, and E. K. Hlil

Hydrogen storage of Mg1−xMxH2 (M=Ti, V, Fe) studied using first-principles calculation

Chin. Phys. B Vol. 21, No. 9 (2012) 097501

26. Zhang, J., Huang, Y.N., Mao, C., Peng, P. Synergistic effect of Ti and F co-doping on dehydrogenation properties of MgH2 from first-principles calculations , J.Alloys Compd 538 (2012) pp. 205-211

27.Zeng, X. Q. Cheng, L. FZou, J. X. Ding, W. J. Tian, H. Y. Buckley, C. Influence of 3d transition metals on the stability and electronic structure of MgH2

1OURNAL OF APPLIED PHYSICS   111(9 )  (2012) Article Number: 093720  DOI: 10.1063/1.4714549   
28.J.Zou, X. Zeng, Y. Ying, P.Stephane, W.Ding Preparation and hydrogen sorption properties of a nanostructured Mg based Mg-La-O composite

International Journal of Hydrogen Energy, 37 (17) (2012) pp. 13067-13073

29.K. Gopalsamy, M. Prakash, R. Mahesh Kumar, V. Subramanian, Density functional studies on the hydrogen storage capacity of boranes and alanes based cages, International Journal of Hydrogen Energy, 37 (12) (2012) pp. 9730-9741

30. Gongbiao Xin, Junzhi Yang, Chongyun Wang, Jie Zheng and Xingvaguo Li

Superior (de)hydrogenation properties of Mg-Ti-Pd trilayer films at room temperature

Dalton Trans., 2012, 41 (22) (2012) pp. 6783-6790
31.Cermak, J., Kral, L.

Alloying of Mg/Mg2Ni eutectic by chosen non-hydride forming elements: Relation between segregation of the third element and hydride storage capacity

Journal of Power Sources 197 (2012) 116-120
32.Dai, J.H., Song, Y., Yang, R., Intrinsic mechanisms on enhancement of hydrogen desorption from MgH2 by (001) surface doping, International Journal of Hydrogen Energy 36 (20), (2011) pp. 12939-12949
33.Marina G. Shelyapina, Daniel Fruchart,

Role of Transition Elements in Stability of Magnesium Hydride: A Review of Theoretical Studies, Solid State Phenomena 170 (2011) 227-231
34.M. Prakash, M. Elango, V. Subramanian

Adsorption of hydrogen molecules on the alkali metal ion decorated boric acid clusters: A density functional theory investigation

International Journal of Hydrogen Energy (2011), doi:10.1016/ j.ijhydene.2010.12.067

35. M.G. Shelyapina, D. Fruchart, P. Wolfers, Electronic structure and stability of new FCC magnesium hydrides Mg₇MH₁₆ and Mg₆MH₁₆ (M Ti, V, Nb): An ab initio study

International Journal of Hydrogen Energy 35(5) (2010) 2025-2032

doi:10.1016/j.ijhydene.2009.12.171
36. М.Г. Шеляпина, М.Ю. Сирецкий

Влияние атомов 3d-металлов на геометрию, электронную структуру

и стабильность кластера Mg13H26

Физика твердого тела, 2010, том 52, вып. 9

37. M. G. Shelyapina and M. Yu. Siretskiy

Influence of 3d Metal Atoms on the Geometry, Electronic Structure, and Stability of a Mg13H26 Cluster

Physics of the Solid State, 2010, Vol. 52, No. 9, pp. 1992–1998.
38. THESE DE DOCTORAT

Simulation Numérique des proprieties d’hydrogène dans les hydrures à base de

BHIHI Mohamed, 2015
39. КЛЮКИН Константин Александрович ФАЗОВЫЕ ПРЕВРАЩЕНИЯ И ПОДВИЖНОСТЬ ВОДОРОДА В ГИДРИДАХ НА ОСНОВЕ МАГНИЯ ПО ДАННЫМ МЕТОДОВ КОМПЬЮТЕРНОГО МОДЕЛИРОВАНИЯ, Федеральное государственное бюджетное образовательное учреждение высшего профессионального образования «САНКТ-ПЕТЕРБУРГСКИЙ ГОСУДАРСТВЕННЫЙ УНИВЕРСИТЕТ»,– 2015

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12. Novaković, N., Matović, L., Novaković, J.G., Manasijević, M., Ivanović, N.

Ab initio study of MgH2 formation

Materials Science and Engineering B: Solid-State Materials for Advanced Technology 165 (3), pp. 235-238 

In

1. 
   A. Junkaew^a, , , B. Ham^c, X. Zhang^b, c, R. Arróyave^b, 
   

Investigation of interfaces in Mg/Nb multilayer thin filmsComputational Materials Science

Volume 108, Part A, October 2015, Pages 212–225