Hydrogen storage capacities of first-row transition-metal modified phosphorene: A computational study

被引：0

作者：

Vera-de la Garza, Cesar Gabriel ^{[1
]}

Sandoval, Daniela Osorio ^{[1
]}

Narvaez, Wilmer Esteban Vallejo ^{[1
]}

Fomine, Serguei ^{[1
]}

机构：

[1] Univ Nacl Autonoma Mexico, Inst Invest Mat, Apartado Postal 70-360, Mexico City 04510, Mexico

来源：

COMPUTATIONAL AND THEORETICAL CHEMISTRY | 2025年 / 1248卷

关键词：

Phosphorene nanoflakes; Hydrogen storage capacity; Transition metals; Metal decoration; DFT; Sustainable energy; ACTIVATED CARBON; ADSORPTION; NANOTUBES; COMPLEXES; STRAIN; ATOMS;

D O I：

10.1016/j.comptc.2025.115210

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页数：9

共 50 条

[31] Vertex effects in describing the ionization energies of the first-row transition-metal monoxide molecules
Wang, Yanyong
Ren, Xinguo
JOURNAL OF CHEMICAL PHYSICS, 2022, 157 (21):
[32] Redox-Responsive MRI Probes Based on First-Row Transition-Metal Complexes
Morrow, Janet R.
Raymond, Jaclyn J.
Chowdhury, Md Saiful I.
Sahoo, Priya Ranjan
INORGANIC CHEMISTRY, 2022, 61 (37) : 14487 - 14499
[33] First-Row Transition-Metal Hydrides: A Challenging Playground for New Theoretical Approaches Theory
Int J Quant Chem, 3 (443):
[34] Theoretical study of first-row transition metal porphyrins and their carbonyl complexes
Charkin, O. P.
Makarov, A. V.
Klimenko, N. M.
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY, 2008, 53 (05) : 718 - 730
[35] Theoretical study of first-row transition metal porphyrins and their carbonyl complexes
O. P. Charkin
A. V. Makarov
N. M. Klimenko
Russian Journal of Inorganic Chemistry, 2008, 53 : 718 - 730
[36] Theoretical studies of the first-row transition metal phosphides
Tong, GSM
Jeung, GH
Cheung, ASC
JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (20): : 9224 - 9232
[37] COMPLEXES FORMED BY ADRENALINE AND RELATED COMPOUNDS WITH TRANSITION-METAL IONS .3. STABILITIES OF SOME FIRST-ROW TRANSITION-METAL COMPLEXES
JAMESON, RF
NEILLIE, WFS
JOURNAL OF INORGANIC & NUCLEAR CHEMISTRY, 1966, 28 (11): : 2667 - &
[38] Revised model core potentials for first-row transition-metal atoms from Sc to Zn
Osanai, You
Mon, Ma San
Noro, Takeshi
Mori, Hirotoshi
Nakashima, Hisaki
Klobukowski, Mariusz
Miyoshi, Eisaku
CHEMICAL PHYSICS LETTERS, 2008, 452 (1-3) : 210 - 214
[39] LATTICE ENERGIES AND HEATS OF FORMATION OF FIRST-ROW TRANSITION-METAL FLUORIDES - STABILITIES OF VANADIUM FLUORIDES
CAVELL, RG
CLARK, HC
JOURNAL OF THE CHEMICAL SOCIETY, 1965, (JAN): : 444 - &
[40] Structure and bonding in first-row transition-metal dicarbides:: Are they related to the stability of met-cars?
Rayon, Victor M.
Redondo, Pilar
Barrientos, Carmen
Largo, Antonio
CHEMISTRY-A EUROPEAN JOURNAL, 2006, 12 (26) : 6963 - 6975

← 1 2 3 4 5 →