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A computational study of MgmHn nanoclusters with n:m ≥ 2:1 for efficient hydrogen storage.

• Authors : Shi, Dongjie¹ (AUTHOR); Ni, Youxuan¹ (AUTHOR); Li, Geng^1,2 (AUTHOR)

• Source: International Journal of Quantum Chemistry. 3/15/2023, Vol. 123 Issue 6, p1-10. 10p.

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A Comparative Density Functional Theory Study of Hydrogen Storage in Cellulose and Chitosan Functionalized by Transition Metals (Ti, Mg, and Nb).

• Authors : Faye, Omar¹ (AUTHOR) ; Szpunar, Jerzy A.¹ (AUTHOR); Eduok, Ubong¹ (AUTHOR)

• Source: Materials (1996-1944). Nov2022, Vol. 15 Issue 21, p7573. 15p.

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Hydrogen Diffusion on, into and in Magnesium Probed by DFT: A Review.

• Authors : Shelyapina, Marina G.¹ (AUTHOR)

• Source: Hydrogen. Sep2022, Vol. 3 Issue 3, p285-302. 18p.

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Structures and Properties of MgTiH n Clusters (n ≤ 20).

• Authors : Newland, Camryn¹ (AUTHOR); Balamurugan, D.² (AUTHOR); Lyon, Jonathan T.¹ (AUTHOR)

• Source: Hydrogen. Dec2024, Vol. 5 Issue 4, p669-681. 13p.

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Structures and Properties of MgTiH n Clusters ( n ≤ 20)

• Authors : Camryn Newland; D. Balamurugan; Jonathan T. Lyon

Subjects: clusters; density functional theory; global optimization

• Source: Hydrogen, Vol 5, Iss 4, Pp 669-681 (2024)

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Hydrogen storage in SiC, GeC, and SnC nanocones functionalized with nickel, Density Functional Theory—Study.

• Authors : Taha, Hayam Osman; El Mahdy, Atef M.; El Shemy, Fatma El Sayed

Subjects: HYDROGEN storage; DENSITY functional theory; BAND gaps

• Source: International Journal of Quantum Chemistry; 2/5/2023, Vol. 123 Issue 3, p1-21, 21p

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The role of V2O5 on the dehydrogenation and hydrogenation in magnesium hydride: An ab initio study

• Authors : Du, Aijun; Smith, Sean; Yao, Xiangdong

Subjects: ab initio calculations; bond lengths; catalysis

• Source: Applied Physics Letters

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N-Heterocyclic Molecules as Potential Liquid Organic Hydrogen Carriers: Reaction Routes and Dehydrogenation Efficacy.

• Authors : Stepanenko, Sergey A.; Shivtsov, Danil M.; Koskin, Anton P.

Subjects: LIQUID hydrogen; DEHYDROGENATION; HYDROGEN storage

• Source: Catalysts (2073-4344); Oct2022, Vol. 12 Issue 10, p1260-N.PAG, 14p

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First‐principle investigation of XSrH3 (X = K and Rb) perovskite‐type hydrides for hydrogen storage.

• Authors : Raza, Hafiz Hamid¹ (AUTHOR) ; Murtaza, G.¹ (AUTHOR) ; Umm‐e‐Hani¹ (AUTHOR)

• Source: International Journal of Quantum Chemistry. 12/15/2020, Vol. 120 Issue 24, p1-12. 12p.

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Scandium Decoration of Boron Doped Porous Graphene for High-Capacity Hydrogen Storage.

• Authors : Wang, Jing^1,2; Chen, Yuhong^1,2 ; Yuan, Lihua²

Subjects: *HYDROGEN storage; *SCANDIUM; *ORBITAL interaction

• Source: Molecules. 7/1/2019, Vol. 24 Issue 13, p2382. 1p. 1 Black and White Photograph, 2 Charts, 9 Graphs.

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