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Md. Rabbi Talukder
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10.1016/j.ijhydene.2025.04.287 · doi-reference
Theoretical insights into novel RbMH3 (M = Zn, Nb, and Ru) cubic perovskites for hydrogen storage applications: a first-principles DFT study
10.1016/j.ijhydene.2025.02.471 · doi-reference
New insight into the structural, hydrogen storage capacity, physical properties, dehydrogenated mechanism of XCo3H8 (X = Mg, Ca, Sr) hydrides
10.1016/j.fuel.2025.137114 · doi-reference
Metal hydrides for solid hydrogen storage: experimental insights, suitability evaluation, and innovative technical considerations for stationary and mobile applications
10.1016/j.ijhydene.2025.04.232 · doi-reference
Technical and environmental feasibility of renewable metal hydride-based off-grid energy systems
10.1016/j.ijhydene.2025.03.448 · doi-reference
A review of mathematical modelling of metal-hydride systems for hydrogen storage applications
10.1016/j.ijhydene.2015.12.079 · doi-reference
Ab initio investigation of XTi3H8 (X = Fe, Co, Ni) perovskite hydrides for solid-state hydrogen storage applications
10.1016/j.inoche.2026.116642 · doi-reference
Investigation of structural, phonon, thermodynamic, electronic, and mechanical properties of non-toxic XZnH3 (X = Li, Na, K) perovskites for solid-state hydrogen storage: a DFT and AIMD approach
10.1016/j.est.2025.115492 · doi-reference
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
10.1107/s0021889811038970 · doi-reference
Finite deformations of an elastic solid
10.2307/2371405 · doi-reference
General methods for geometry and wave function optimization
10.1021/j100203a036 · doi-reference
Exploring the structural, mechanical, electronic, optical, and thermoelectric properties of Cesium-based double perovskite Cs2GeSnX6 (X = Cl, Br, I) compounds: a DFT study
10.1016/j.mssp.2023.107813 · doi-reference
Accurate treatment of solids with the HSE screened hybrid
10.1002/pssb.201046303 · doi-reference
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
10.1103/physrevb.41.7892 · doi-reference
Inhomogeneous electron gas
10.1103/physrev.136.b864 · doi-reference
Generalized gradient approximation made simple
10.1103/physrevlett.77.3865 · doi-reference
First principles methods using CASTEP
10.1524/zkri.220.5.567.65075 · doi-reference
Density functional theory: its origins, rise to prominence, and future
10.1103/revmodphys.87.897 · doi-reference
Adsorption of bromonitromethane over graphene-based substrates: a density functional theory analysis
10.1002/slct.201900082 · doi-reference
Adsorption of hydrogen cyanide, cyanogen fluoride and cyanogen chloride on iron decorated graphene substrates: a DFT-D2 study
10.1007/s10904-024-03476-8 · doi-reference
DFT study of carbaryl pesticide adsorption on vacancy and nitrogen-doped graphene decorated with platinum clusters
10.1007/s11224-020-01693-8 · doi-reference
Effect of transition metal on the physical and hydrogen storage properties of the dynamically stable novel ARhH3 (A = Mg, Ca, and Sr) hydrides for solid-state hydrogen storage application: a DFT and AIMD study
10.1016/j.fuproc.2025.108312 · doi-reference
First-principles investigation of Li3XH8 (X Al, Ti, and Zr) complex hydrides for hydrogen storage applications
10.1016/j.jpcs.2025.113274 · doi-reference
ELATE: an open-source online application for analysis and visualization of elastic tensors
10.1088/0953-8984/28/27/275201 · doi-reference
Comprehensive first-principles and AIMD study of alkali metal LiX3H8 (X = Fe, Cr) hydrides for hydrogen storage applications
10.1016/j.ijhydene.2025.150791 · doi-reference
New alkali metal compounds XCo3H8 (X = Li, Na and K) for hydrogen storage technology
10.1016/j.jpcs.2025.113064 · doi-reference
First-principles calculations to investigate Mg3XH8 (X = Ca, Sc, Ti, V, Cr, Mn) materials for hydrogen storage
10.1016/j.ijhydene.2024.06.052 · doi-reference
First principles investigations of lithium based hydrides LiXH3(X=Al, Ga, In) for hydrogen storage applications
10.1016/j.ijhydene.2024.11.409 · doi-reference
Exploring the structural, electronic, optical, mechanical properties and hydrogen storage capabilities of alkali metal molybdenum hydrides XMoH3 (X=Li, Na, K): a DFT study
10.1016/j.ijhydene.2025.03.444 · doi-reference
Exploring the hydrogen storage capacity, dehydrogenated mechanism, electronic and optical properties of AMMgH3 hydrides for hydrogen storage
10.1016/j.est.2025.116869 · doi-reference
A study on hydrogen, the clean energy of the future: hydrogen storage methods
10.1016/j.est.2021.102676 · doi-reference
Metal-organic framework for hydrogen storage: advances and challenges brought by the new technologies
10.1016/j.ijhydene.2024.11.003 · doi-reference
Liquid-phase chemical hydrogen storage: catalytic hydrogen generation under ambient conditions
10.1002/cssc.201000023 · doi-reference