Browsing by Author "Sukmas, W."

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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 ...
Roles of optical phonons and logarithmic profile of electron-phonon coupling integration in superconducting Sc0.5Y0.5H6 superhydride under pressures

Sukmas, W.; Tsuppayakorn-aek, P.; Pinsook, U.; Ahuja, R.; Bovornratanaraks, T. (2022-05-29)

The stable structure of symmetrically Sc/Y-substituted hexahydride Sc0.5Y0.5H6 under high pressures is theoretically reported herein to superconduct with maximum Tc of 127 K, as supported by analyses of the electronic band ...
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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