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Adsorption of Acetone and Toluene on Single-Vacancy Silicene by Density Functional Theory Calculations

Materials transactions, 2020-08, Vol.61 (8), p.1449-1454

2020

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

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

2024

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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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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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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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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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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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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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Triphasic Ni2P–Ni12P5–Ru with Amorphous Interface Engineering Promoted by Co Nano‐Surface for Efficient Water Splitting

Small (Weinheim an der Bergstrasse, Germany), 2024-07, Vol.20 (27), p.e2309122-n/a

2024

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Tavorite-like orthorhombic AxVPO4F (A = Li, Na) for novel high-voltage cathodes in rechargeable batteries

Journal of alloys and compounds, 2021-09, Vol.875, p.1, Article 159963

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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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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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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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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Counter ion-regulated heterostructured Co@Fe-based core@shell materials: as remarkable bifunctional electrodes for green H2 production

Journal of materials chemistry. A, Materials for energy and sustainability, 2024-09, Vol.12 (36), p.24656-24669

2024

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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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Molecularly engineered potential of d-orbital modulated iron-bridged delaminated MBene for rechargeable Zn–air batteries

Energy & environmental science, 2024-09, Vol.17 (18), p.6559-6570

2024

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Enhanced response characteristics of NO2 gas sensor based on ultrathin SnS2 nanoplates: Experimental and DFT study

Sensors and actuators. A. Physical., 2024-08, Vol.373, p.115384, Article 115384

2024

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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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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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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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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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Adsorption of Acetone and Toluene on Single-Vacancy Silicene by Density Functional Theory Calculations

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

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

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

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

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

First principles predictions of Na and K storage in layered SnSe2

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

Triphasic Ni2P–Ni12P5–Ru with Amorphous Interface Engineering Promoted by Co Nano‐Surface for Efficient Water Splitting

Tavorite-like orthorhombic AxVPO4F (A = Li, Na) for novel high-voltage cathodes in rechargeable batteries

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

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

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

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

Counter ion-regulated heterostructured Co@Fe-based core@shell materials: as remarkable bifunctional electrodes for green H2 production

Monolayer SnC as anode material for Na ion batteries

Molecularly engineered potential of d-orbital modulated iron-bridged delaminated MBene for rechargeable Zn–air batteries

Enhanced response characteristics of NO2 gas sensor based on ultrathin SnS2 nanoplates: Experimental and DFT study

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

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

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

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

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