Browsing by Author "Inceesungvorn, B."

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Lattice dynamic stability and electronic structures of ternary hydrides La1 xYxH3 via first-principles cluster expansion

Tsuppayakorn-aek, P.; Sukmas, W.; Pluengphon, P.; Inceesungvorn, B.; Phansuke, P.; Kaewtubtim, P.; Ahuja, R.; Bovornratanaraks, T.; Luo, W. (2022-10-30)

Lanthanum hydride compounds LaH3 become stabilized by yttrium substitution under the influence of moderate pressure. Novel materials with a wide range of changes in the structural properties as a function of hydrogen are ...
TM dopant-induced H-vacancy diffusion kinetics of sodium-lithium alanates: Ab initio study for hydrogen storage improvement

Pluengphon, P.; Tsuppayakorn-aek, P.; Sukmas, W.; Inceesungvorn, B.; Ahuja, R.; Bovornratanaraks, T. (2022-07-19)

We present a hydrogen storage mechanism of the surface and bulk Na–Li–Al hydrides substituted by the transition metal (TM) dopants such as Ni, Cu, Ag, and Zn. The host hydrides of interest, namely, NaAlH4, LiAlH4, Na3AlH4, ...

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