Computational design of novel MAX phase alloys as potential hydrogen storage media combining first principles and cluster expansion methods.

Das, Pritam; Thekkepat, Krishnamohan; Lee, Young-Su; Lee, Seung-Cheol; Bhattacharjee, Satadeep

Das, Pritam; Thekkepat, Krishnamohan; Lee, Young-Su; Lee, Seung-Cheol; Bhattacharjee, Satadeep.

Afiliación

Das P; Indo-Korea Science and Technology Center (IKST), Jakkur, Bengaluru 560065, India. s.bhattacharjee@ikst.res.in.
Thekkepat K; Electronic Materials Research Center, Korea Institute of Science and Technology, Seoul 02792, Republic of Korea. leesc@kist.re.kr.
Lee YS; Energy Materials Research Center, Korea Institute of Science and Technology, Seoul 02792, Seoul, Republic of Korea.
Lee SC; Electronic Materials Research Center, Korea Institute of Science and Technology, Seoul 02792, Republic of Korea. leesc@kist.re.kr.
Bhattacharjee S; Indo-Korea Science and Technology Center (IKST), Jakkur, Bengaluru 560065, India. s.bhattacharjee@ikst.res.in.

Phys Chem Chem Phys ; 25(6): 5203-5210, 2023 Feb 08.

Article en En | MEDLINE | ID: mdl-36723101

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: India

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