[HTML][HTML] Hydrogen Diffusion on, into and in Magnesium Probed by DFT: A Review
MG Shelyapina - Hydrogen, 2022 - mdpi.com
Hydrogen is an energy carrier that can be a sustainable solution for alternative energy with
zero greenhouse gas emissions. Hydrogen storage is a key point for hydrogen energy …
zero greenhouse gas emissions. Hydrogen storage is a key point for hydrogen energy …
Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides
This review deals with the destabilization methods for improvement of storage properties of
metal hydrides. Both theoretical and experimental approaches were used to point out the …
metal hydrides. Both theoretical and experimental approaches were used to point out the …
[HTML][HTML] Nanoconfined Water in Pillared Zeolites Probed by 1H Nuclear Magnetic Resonance
MG Shelyapina, DY Nefedov, AO Antonenko… - International Journal of …, 2023 - mdpi.com
Here, we report the results of our 1H nuclear magnetic resonance study of the dynamics of
water molecules confined in zeolites (mordenite and ZSM-5 structures) with hierarchical …
water molecules confined in zeolites (mordenite and ZSM-5 structures) with hierarchical …
Dynamics of Guest Water Molecules in Pillared Mordenite Studied by 1H NMR Relaxation
MG Shelyapina, DY Nefedov, AO Antonenko… - Applied Magnetic …, 2023 - Springer
The dynamics of H2O molecules confined in mesopores of about 3.4 nm in size, formed by
amorphous SiO2 pillars separating 2D mordenite nanolayers, was probed by 1H nuclear …
amorphous SiO2 pillars separating 2D mordenite nanolayers, was probed by 1H nuclear …
[HTML][HTML] Quantitative probing of hydrogen environments in quasicrystals by high-resolution NMR spectroscopy
Metal-based quasicrystals with unique quasi-periodic atomic arrangements are known to
store a large amount of hydrogen under reasonable pressure and temperature for practical …
store a large amount of hydrogen under reasonable pressure and temperature for practical …
Hydrogen diffusion in doped and undoped α-Ti: An ab-initio investigation
AV Bakulin, TI Spiridonova, SE Kulkova… - International Journal of …, 2016 - Elsevier
The hydrogen diffusion paths in undoped and doped α-Ti were studied by the projector
augmented wave method within the density functional theory. Our calculations confirm that …
augmented wave method within the density functional theory. Our calculations confirm that …
Concentration dependence of hydrogen diffusion in α-iron from atomistic perspectives
Abstract Evaluation of hydrogen diffusion in structural materials is essential to predict the
leakage and embrittlement of hydrogen storage applications. In this work, we investigate the …
leakage and embrittlement of hydrogen storage applications. In this work, we investigate the …
New interatomic potential for simulation of pure magnesium and magnesium hydrides
DE Smirnova, SV Starikov, AM Vlasova - Computational Materials Science, 2018 - Elsevier
We develop an interatomic potential intended for the study of Mg-H system using atomistic
methods. The reported potential has an angular-dependent form and can be used for …
methods. The reported potential has an angular-dependent form and can be used for …
First-principle modeling of hydrogen site solubility and diffusion in disordered Ti–V–Cr alloys
OO Bavrina, MG Shelyapina, KA Klyukin… - International Journal of …, 2018 - Elsevier
Hydrogen diffusion and solubility in disordered alloys are of paramount importance to a
variety of practical applications from hydrogen storage materials to separation membranes …
variety of practical applications from hydrogen storage materials to separation membranes …
Proton mobility in Ruddlesden–Popper phase H2La2Ti3O10 studied by 1H NMR
MG Shelyapina, DY Nefedov, AV Kostromin… - Ceramics …, 2019 - Elsevier
To study protons localization in H 1.83 K 0.17 La 2 Ti 3 O 10· 0.17 H 2 O and their motional
characteristics, complementary Nuclear Magnetic Resonance (NMR) techniques have been …
characteristics, complementary Nuclear Magnetic Resonance (NMR) techniques have been …