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Strontium stannate as an alternative anode for Na- and K-Ion batteries: A theoretical study

The Journal of physics and chemistry of solids, 2022-03, Vol.162, p.110505, Article 110505

2022

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Electronic and optical properties of monolayer MoS2 under the influence of polyethyleneimine adsorption and pressure

RSC advances, 2020, Vol.10 (8), p.4201-4210

2020

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Bonding and singlet-triplet gap of silicon trimer: Effects of protonation and attachment of alkali metal cations

Journal of computational chemistry, 2015-04, Vol.36 (11), p.805-815

2015

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Impressive capacity of the B7− and V2B7 clusters for CO2 capture

Chemical physics letters, 2019-08, Vol.728, p.186-194

2019

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Effects of single and double nickel doping on boron clusters: stabilization of tubular structures in BnNim, n = 2-22, m = 1, 2

Physical chemistry chemical physics : PCCP, 2019-04, Vol.21 (16), p.8365-8375

2019

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Silole and selenophene-based D-π-A dyes in dye-sensitized solar cells: Insights from optoelectronic and regeneration properties

Dyes and pigments, 2020-05, Vol.176, p.108243, Article 108243

2020

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A theoretical approach to the role of different types of electrons in planar elongated boron clusters

Physical chemistry chemical physics : PCCP, 2019-06, Vol.21 (24), p.133-1339

2019

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Monolayer transition-metal dichalcogenides with polyethyleneimine adsorption

Journal of computational electronics, 2021-02, Vol.20 (1), p.135-150

2021

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Theoretical Study of Small Scandium-Doped Silver Clusters ScAgn with n = 1-7: σ-Aromatic Feature

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-10, Vol.120 (40), p.7964-7972

2016

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Mn2@Si15: the smallest triple ring tubular silicon cluster

Physical chemistry chemical physics : PCCP, 2015-07, Vol.17 (27), p.17566-17570

2015

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Optical properties of the hydrated charged silver tetramer and silver hexamer encapsulated inside the sodalite cavity of an LTA-type zeolite

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (27), p.18128-18136

2016

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Effect of reaction temperature and concentration of H2SO4 acid in the unzipping process of carbon nanotubes to form graphene nanoribbons

IOP conference series. Earth and environmental science, 2024-04, Vol.1340 (1), p.012013

2024

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First-principles study of Pd-skin/Pd3Fe(111) electrocatalyst for oxygen reduction reaction

Journal of applied electrochemistry, 2017-06, Vol.47 (6), p.747-754

2017

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Structural, electronic, and optical properties of some new dithienosilole derivatives

Structural chemistry, 2020-12, Vol.31 (6), p.2215-2225

2020

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Influences of Electrode Potential on Mechanism of Oxygen Reduction Reaction on Pd-Skin/Pd3Fe(111) Electrocatalyst: Insights from DFT-Based Calculations

Electrocatalysis, 2018-01, Vol.9 (1), p.10-21

2018

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Lithium disilicate as an alternative silicate battery material. A theoretical study

Journal of power sources, 2024-01, Vol.591, p.233865, Article 233865

2024

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Assessing the feasibility of Na6MgCl8 as a material for all-solid-state sodium ion batteries: A theoretical approach

The Journal of physics and chemistry of solids, 2024-05, Vol.188, p.111916, Article 111916

2024

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Reinvestigation of conducting properties of Ca-doped barium titanate

The Journal of physics and chemistry of solids, 2023-11, Vol.182, p.111564, Article 111564

2023

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The silicon doped B10Si2 and isovalent boron clusters: Quasi-degenerate 2D and 3D isomers and electron model for rectangular cuboid

Chemical physics letters, 2024-10, Vol.852, p.141517, Article 141517

2024

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Boron-doped scandium clusters B@Sc n -1 -/0/+ with n = 2-13: uncovering the smallest endohedrally doped cages

RSC advances, 2024-10, Vol.14 (47), p.34718-34732

2024

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Na6MCl8 rock-salt compounds with M = Mg, Ca, Ba, Zn, Sr as components for solid-state sodium ion batteries

RSC advances, 2024-07, Vol.14 (30), p.21644-21652

2024

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The Li 2 Ti 6 O 13 and Li 2 Zr 6 O 13 composite as a high-performance anode for alkali-ion batteries: a molecular dynamics study

RSC advances, 2024-07, Vol.14 (32), p.22974-22980

2024

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The Li2Ti6O13 and Li2Zr6O13 composite as a high-performance anode for alkali-ion batteries: a molecular dynamics study

RSC advances, 2024-07, Vol.14 (32), p.22974-22980

2024

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Na 6 MCl 8 rock-salt compounds with M = Mg, Ca, Ba, Zn, Sr as components for solid-state sodium ion batteries

RSC advances, 2024-07, Vol.14 (30), p.21644-21652

2024

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NaMCl rock-salt compounds with M = Mg, Ca, Ba, Zn, Sr as components for solid-state sodium ion batteries

RSC advances, 2024-07, Vol.14 (3), p.21644-21652

2024

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Strontium stannate as an alternative anode for Na- and K-Ion batteries: A theoretical study

Electronic and optical properties of monolayer MoS2 under the influence of polyethyleneimine adsorption and pressure

Bonding and singlet-triplet gap of silicon trimer: Effects of protonation and attachment of alkali metal cations

Impressive capacity of the B7− and V2B7 clusters for CO2 capture

Effects of single and double nickel doping on boron clusters: stabilization of tubular structures in BnNim, n = 2-22, m = 1, 2

Silole and selenophene-based D-π-A dyes in dye-sensitized solar cells: Insights from optoelectronic and regeneration properties

A theoretical approach to the role of different types of electrons in planar elongated boron clusters

Monolayer transition-metal dichalcogenides with polyethyleneimine adsorption

Theoretical Study of Small Scandium-Doped Silver Clusters ScAgn with n = 1-7: σ-Aromatic Feature

Mn2@Si15: the smallest triple ring tubular silicon cluster

Optical properties of the hydrated charged silver tetramer and silver hexamer encapsulated inside the sodalite cavity of an LTA-type zeolite

Effect of reaction temperature and concentration of H2SO4 acid in the unzipping process of carbon nanotubes to form graphene nanoribbons

First-principles study of Pd-skin/Pd3Fe(111) electrocatalyst for oxygen reduction reaction

Structural, electronic, and optical properties of some new dithienosilole derivatives

Influences of Electrode Potential on Mechanism of Oxygen Reduction Reaction on Pd-Skin/Pd3Fe(111) Electrocatalyst: Insights from DFT-Based Calculations

Lithium disilicate as an alternative silicate battery material. A theoretical study

Assessing the feasibility of Na6MgCl8 as a material for all-solid-state sodium ion batteries: A theoretical approach

Reinvestigation of conducting properties of Ca-doped barium titanate

The silicon doped B10Si2 and isovalent boron clusters: Quasi-degenerate 2D and 3D isomers and electron model for rectangular cuboid

Boron-doped scandium clusters B@Sc n -1 -/0/+ with n = 2-13: uncovering the smallest endohedrally doped cages

Na6MCl8 rock-salt compounds with M = Mg, Ca, Ba, Zn, Sr as components for solid-state sodium ion batteries

The Li 2 Ti 6 O 13 and Li 2 Zr 6 O 13 composite as a high-performance anode for alkali-ion batteries: a molecular dynamics study

The Li2Ti6O13 and Li2Zr6O13 composite as a high-performance anode for alkali-ion batteries: a molecular dynamics study

Na 6 MCl 8 rock-salt compounds with M = Mg, Ca, Ba, Zn, Sr as components for solid-state sodium ion batteries

NaMCl rock-salt compounds with M = Mg, Ca, Ba, Zn, Sr as components for solid-state sodium ion batteries

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