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Band valley modification under strain in monolayer WSe2

AIP advances, 2022-11, Vol.12 (11), p.115023-115023-11

2022

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Adsorption of cadmium selenide clusters: A novel approach to enhance solar energy conversion using armchair graphene nanoribbons

AIP advances, 2024-03, Vol.14 (3), p.035020-035020-10

2024

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Potential anodic applications of 2D MoS2 for K-ion batteries

Journal of alloys and compounds, 2021-06, Vol.865, p.158782, Article 158782

2021

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First-principles Calculation of Effects of Carbon on Tetragonality and Magnetic Moment in Fe–C System

ISIJ International, 2015/11/15, Vol.55(11), pp.2483-2491

2015

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Adsorption of toxic gases on borophene: surface deformation links to chemisorptions

RSC advances, 2021-05, Vol.11 (3), p.18279-18287

2021

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Delaminated MBene sheets beyond usual 2D transition metal materials for securing Pt single atoms to boost hydrogen evolution

Energy & environmental science, 2023-09, Vol.16 (9), p.493-414

2023

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First principles predictions of Na and K storage in layered SnSe2

Applied surface science, 2021-11, Vol.566, p.150522, Article 150522

2021

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Insight into the diffusion mechanism of sodium ion–polaron complexes in orthorhombic P2 layered cathode oxide NaxMnO2

Physical chemistry chemical physics : PCCP, 2020-08, Vol.22 (32), p.18219-18228

2020

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First Principle Materials Design of Half-Metallic Ferromagnetic Half-Heusler Alloys

IEEE transactions on magnetics, 2009-06, Vol.45 (6), p.2663-2666

2009

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Metal Single‐Site Molecular Complex–MXene Heteroelectrocatalysts Interspersed Graphene Nanonetwork for Efficient Dual‐Task of Water Splitting and Metal–Air Batteries

Advanced functional materials, 2023-02, Vol.33 (7), p.n/a

2023

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Hybrid functional study of the NASICON-type Na3V2(PO4)3: crystal and electronic structures, and polaron-Na vacancy complex diffusion

Physical chemistry chemical physics : PCCP, 2015-11, Vol.17 (45), p.3433-3439

2015

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A new ternary pentagonal monolayer based on Bi with large intrinsic Dzyaloshinskii–Moriya interaction

Journal of physics. D, Applied physics, 2022-01, Vol.55 (1), p.15002

2022

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Monolayer SnC as anode material for Na ion batteries

Computational materials science, 2021-09, Vol.197, p.110617, Article 110617

2021

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Na-ion diffusion in a NASICON-type solid electrolyte: a density functional study

Physical chemistry chemical physics : PCCP, 2016-10, Vol.18 (39), p.27226-27231

2016

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Adsorption behavior of formaldehyde gas on two-dimensional semiconductor monolayers MS2 (M=W, Mo)

Journal of physics. Conference series, 2024-04, Vol.2744 (1), p.012006

2024

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Structural, Electronic, Optical, and potassium anodic electrochemical characteristics of 2-Dimensional Silicane: A density functional theory investigation

Journal of electroanalytical chemistry (Lausanne, Switzerland), 2023-06, Vol.938, p.117442, Article 117442

2023

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Hybrid Functional Study on Small Polaron Formation and Ion Diffusion in the Cathode Material Na2Mn3(SO4)4

ACS omega, 2020-03, Vol.5 (10), p.5429-5435

2020

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First principles study of the crystal, electronic structure, and diffusion mechanism of polaron-Na vacancy of Na3MnPO4CO3 for Na-ion battery applications

Journal of physics. D, Applied physics, 2017-02, Vol.50 (4)

2017

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Two-dimensional NaxSiS as a promising anode material for rechargeable sodium-based batteries: ab initio material design

Physical chemistry chemical physics : PCCP, 2019-01, Vol.21 (44), p.24326-24332

2019

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Aromatic Volatile Organic Compounds Adsorption on Tungsten Diselenide Monolayer

Journal of physics. Conference series, 2023-04, Vol.2485 (1), p.12005

2023

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Ni Single Atoms and Ni Phosphate Clusters Synergistically Triggered Surface‐Functionalized MoS2 Nanosheets for High‐performance Freshwater and Seawater Electrolysis

Energy & environmental materials (Hoboken, N.J.), 2022-10, Vol.5 (4), p.1340-1349

2022

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Diffusion mechanism of Na ion–polaron complex in potential cathode materials NaVOPO4 and VOPO4 for rechargeable sodium-ion batteries

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (36), p.23625-23634

2018

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First-principles study of highly sensitive graphene/hexagonal boron nitride heterostructures for application in toxic gas-sensing devices

RSC advances, 2024-01, Vol.14 (7), p.494-4916

2024

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Band valley flattening and exciton appearance/disappearance under isotropic strain in monolayer WS2

European physical journal plus, 2022-12, Vol.137 (12), p.1317

2022

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Small polaron transport in cathode materials of rechargeable ion batteries

Journal of science. Advanced materials and devices, 2022-03, Vol.7 (1), p.100410, Article 100410

2022

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Band valley modification under strain in monolayer WSe2

Adsorption of cadmium selenide clusters: A novel approach to enhance solar energy conversion using armchair graphene nanoribbons

Potential anodic applications of 2D MoS2 for K-ion batteries

First-principles Calculation of Effects of Carbon on Tetragonality and Magnetic Moment in Fe–C System

Adsorption of toxic gases on borophene: surface deformation links to chemisorptions

Delaminated MBene sheets beyond usual 2D transition metal materials for securing Pt single atoms to boost hydrogen evolution

First principles predictions of Na and K storage in layered SnSe2

Insight into the diffusion mechanism of sodium ion–polaron complexes in orthorhombic P2 layered cathode oxide NaxMnO2

First Principle Materials Design of Half-Metallic Ferromagnetic Half-Heusler Alloys

Metal Single‐Site Molecular Complex–MXene Heteroelectrocatalysts Interspersed Graphene Nanonetwork for Efficient Dual‐Task of Water Splitting and Metal–Air Batteries

Hybrid functional study of the NASICON-type Na3V2(PO4)3: crystal and electronic structures, and polaron-Na vacancy complex diffusion

A new ternary pentagonal monolayer based on Bi with large intrinsic Dzyaloshinskii–Moriya interaction

Monolayer SnC as anode material for Na ion batteries

Na-ion diffusion in a NASICON-type solid electrolyte: a density functional study

Adsorption behavior of formaldehyde gas on two-dimensional semiconductor monolayers MS2 (M=W, Mo)

Structural, Electronic, Optical, and potassium anodic electrochemical characteristics of 2-Dimensional Silicane: A density functional theory investigation

Hybrid Functional Study on Small Polaron Formation and Ion Diffusion in the Cathode Material Na2Mn3(SO4)4

First principles study of the crystal, electronic structure, and diffusion mechanism of polaron-Na vacancy of Na3MnPO4CO3 for Na-ion battery applications

Two-dimensional NaxSiS as a promising anode material for rechargeable sodium-based batteries: ab initio material design

Aromatic Volatile Organic Compounds Adsorption on Tungsten Diselenide Monolayer

Ni Single Atoms and Ni Phosphate Clusters Synergistically Triggered Surface‐Functionalized MoS2 Nanosheets for High‐performance Freshwater and Seawater Electrolysis

Diffusion mechanism of Na ion–polaron complex in potential cathode materials NaVOPO4 and VOPO4 for rechargeable sodium-ion batteries

First-principles study of highly sensitive graphene/hexagonal boron nitride heterostructures for application in toxic gas-sensing devices

Band valley flattening and exciton appearance/disappearance under isotropic strain in monolayer WS2

Small polaron transport in cathode materials of rechargeable ion batteries

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