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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.
Affiliation
  • 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 in En | MEDLINE | ID: mdl-36723101
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2023 Document type: Article Affiliation country: India Country of publication: Reino Unido
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2023 Document type: Article Affiliation country: India Country of publication: Reino Unido