The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: a DFT study (2024)
- Authors:
- Autor USP: KHAN, NIQAB - IFSC
- Unidade: IFSC
- DOI: 10.1016/j.comptc.2024.114941
- Subjects: HIDROGÊNIO; COMBUSTÍVEIS; PROPRIEDADES DOS MATERIAIS; FÍSICA DO ESTADO SÓLIDO
- Keywords: Lead-free perovskite hydrides; Gravimetric capacity; Density of states; Optical absorption; DFT
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: Computational and Theoretical Chemistry
- ISSN: 2210-2728
- Volume/Número/Paginação/Ano: v. 1242, p. 114941-1-114941-12 + supplementary data, Dec. 2024
- Este periódico é de assinatura
- Este artigo NÃO é de acesso aberto
- Cor do Acesso Aberto: closed
-
ABNT
MASOOD, Muhammad Kashif et al. The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: a DFT study. Computational and Theoretical Chemistry, v. 1242, p. 114941-1-114941-12 + supplementary data, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.comptc.2024.114941. Acesso em: 27 dez. 2025. -
APA
Masood, M. K., Khan, W., Bibi, S., Khan, N., Pingak, R. K., Tahir, K., et al. (2024). The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: a DFT study. Computational and Theoretical Chemistry, 1242, 114941-1-114941-12 + supplementary data. doi:10.1016/j.comptc.2024.114941 -
NLM
Masood MK, Khan W, Bibi S, Khan N, Pingak RK, Tahir K, Rehman J, Bahajjaj AAA. The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: a DFT study [Internet]. Computational and Theoretical Chemistry. 2024 ; 1242 114941-1-114941-12 + supplementary data.[citado 2025 dez. 27 ] Available from: https://doi.org/10.1016/j.comptc.2024.114941 -
Vancouver
Masood MK, Khan W, Bibi S, Khan N, Pingak RK, Tahir K, Rehman J, Bahajjaj AAA. The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: a DFT study [Internet]. Computational and Theoretical Chemistry. 2024 ; 1242 114941-1-114941-12 + supplementary data.[citado 2025 dez. 27 ] Available from: https://doi.org/10.1016/j.comptc.2024.114941 - Recent advances in TiO2-based photocatalysts for efficient water splitting to hydrogen
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Informações sobre o DOI: 10.1016/j.comptc.2024.114941 (Fonte: oaDOI API)
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