High-pressure phases induce H-vacancy diffusion kinetics in TM-doped MgH<inf>2</inf>: Ab initio study for hydrogen storage improvement

• المؤلفون الرئيسيون: Prayoonsak Pluengphon, T. Bovornratanaraks, Prutthipong Tsuppayakorn-aek, Udomsilp Pinsook, Burapat Inceesungvorn
• التنسيق: دورية
• منشور في: 2019
• الموضوعات: Energy; Physics and Astronomy
• الوصول للمادة أونلاين: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85068206905&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/65585

© 2019 Hydrogen Energy Publications LLC The improvement of the hydrogen storage mechanism in TM-doped MgH2 by structural high-pressure effects has been found using ab initio calculation. Phase transition, formation enthalpy and H-vacancy mechanism of α-, β-, and γ-MgH2 with 3.125% of Ni, Pd and Pd d...