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Electronic structure of the substitutional vacancy in graphene: density-functional and Green's function studies

New journal of physics, 2012-08, Vol.14 (8), p.83004

2012

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Design of an aluminium ion battery with a graphyne host: lowest volume expansion, high stability and low diffusion barriers

Nanoscale advances, 2022-09, Vol.4 (18), p.387-3882

2022

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Density Functional Theory Studies of Si2BN Nanosheets as Anode Materials for Magnesium-Ion Batteries

ACS applied materials & interfaces, 2020-09, Vol.3 (9), p.9055-9063

2020

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Spin-polarized two-dimensional electron gas at oxide interfaces

Physical review letters, 2008-09, Vol.101 (12), p.127201-127201, Article 127201

2008

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Enhancing CO2 Electroreduction by Tailoring Strain and Ligand Effects in Bimetallic Copper–Rhodium and Copper–Nickel Heterostructures

Journal of physical chemistry. C, 2017-03, Vol.121 (8), p.4496-4504

2017

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A generic Slater–Koster description of the electronic structure of centrosymmetric halide perovskites

The Journal of chemical physics, 2021-03, Vol.154 (10), p.104706-104706

2021

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CO and CO2 Electrochemical Reduction to Methane on Cu, Ni, and Cu3Ni (211) Surfaces

Journal of physical chemistry. C, 2016-04, Vol.120 (16), p.8781-8789

2016

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Enhanced bulk photovoltaic response in Sn doped BaTiO3 through composition dependent structural transformation

Applied physics letters, 2019-05, Vol.114 (18)

2019

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Maximizing Short Circuit Current Density and Open Circuit Voltage in Oxygen Vacancy-Controlled Bi1-xCaxFe1-yTiyO3-δ Thin-Film Solar Cells

ACS applied materials & interfaces, 2020-03, Vol.12 (12), p.14105-14118

2020

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Unconventional Magnetism and Band Gap Formation in LiFePO4: Consequence of Polyanion Induced Non-planarity

Scientific reports, 2016-01, Vol.6 (1), p.19573-19573, Article 19573

2016

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Stretchable and dynamically stable promising two-dimensional thermoelectric materials: ScP and ScAs

Journal of materials chemistry. A, Materials for energy and sustainability, 2019-05, Vol.7 (2), p.1264-12615

2019

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α-Graphyne with ultra-low diffusion barriers as a promising sodium-ion battery anode and a computational scheme for accurate estimation of theoretical specific capacity

Nanoscale, 2024-09, Vol.16 (36), p.16900-16912

2024

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Mechanistic Understanding of NO2 Dissociation on a Rutile TiO2 (110) Surface: An Electronic Structure Study

Journal of physical chemistry. C, 2020-04, Vol.124 (16), p.8786-8794

2020

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Metal-insulator transition in epitaxial Ga-doped ZnO films via controlled thickness

Journal of physics. Condensed matter, 2021-03, Vol.33 (10), p.105703-105703

2021

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First principles study of the electronic structure and magnetic properties of spin chain compounds: Ca3ZnMnO6 and Ca3ZnCoO6

Journal of physics. Condensed matter, 2016-09, Vol.28 (37), p.375501-375501

2016

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Maximizing Short Circuit Current Density and Open Circuit Voltage in Oxygen Vacancy-Controlled Bi 1- x Ca x Fe 1- y Ti y O 3-δ Thin-Film Solar Cells

ACS applied materials & interfaces, 2020-03, Vol.12 (12), p.14105-14118

2020

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Development of short and long-range magnetic order in the double perovskite based frustrated triangular lattice antiferromagnet Ba2MnTeO6

Scientific reports, 2021-03, Vol.11 (1)

2021

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Electronic structure and magnetism in half-Heusler compounds

Journal of physics. Condensed matter, 2003-11, Vol.15 (43), p.7307-7323

2003

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Evidence for weak-antilocalization–weak-localization crossover and metal-insulator transition in CaCu3Ru4O12 thin films

Europhysics letters, 2021-01, Vol.133 (1), p.17005

2021

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Orbital driven impurity spin effect on the magnetic order of quasi-3D cupric oxide

Journal of physics. Condensed matter, 2017-04, Vol.29 (15), p.155802-155802

2017

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Band engineering via grain boundary defect states for large scale tuning of photoconductivity in Bi1−xCaxFe1−yTiyO3−δ

Journal of applied physics, 2019-12, Vol.126 (23)

2019

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Intertwined lattice deformation and magnetism in monovacancy graphene

Physical review. B, 2016-04, Vol.93 (16), Article 165403

2016

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Field-induced structural and orbital transformations leading to large bulk photovoltaic response in modified barium titanate

APL materials, 2023-11, Vol.11 (11), p.111112-111112-8

2023

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Defining the topological influencers and predictive principles to engineer the band structure of halide perovskites

Physical review. B, 2020-04, Vol.101 (15), p.1, Article 155102

2020

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Topologically invariant double Dirac states in bismuth-based perovskites: Consequence of ambivalent charge states and covalent bonding

Physical review. B, 2018-01, Vol.97 (4), Article 045149

2018

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Electronic structure of the substitutional vacancy in graphene: density-functional and Green's function studies

Design of an aluminium ion battery with a graphyne host: lowest volume expansion, high stability and low diffusion barriers

Density Functional Theory Studies of Si2BN Nanosheets as Anode Materials for Magnesium-Ion Batteries

Spin-polarized two-dimensional electron gas at oxide interfaces

Enhancing CO2 Electroreduction by Tailoring Strain and Ligand Effects in Bimetallic Copper–Rhodium and Copper–Nickel Heterostructures

A generic Slater–Koster description of the electronic structure of centrosymmetric halide perovskites

CO and CO2 Electrochemical Reduction to Methane on Cu, Ni, and Cu3Ni (211) Surfaces

Enhanced bulk photovoltaic response in Sn doped BaTiO3 through composition dependent structural transformation

Maximizing Short Circuit Current Density and Open Circuit Voltage in Oxygen Vacancy-Controlled Bi1-xCaxFe1-yTiyO3-δ Thin-Film Solar Cells

Unconventional Magnetism and Band Gap Formation in LiFePO4: Consequence of Polyanion Induced Non-planarity

Stretchable and dynamically stable promising two-dimensional thermoelectric materials: ScP and ScAs

α-Graphyne with ultra-low diffusion barriers as a promising sodium-ion battery anode and a computational scheme for accurate estimation of theoretical specific capacity

Mechanistic Understanding of NO2 Dissociation on a Rutile TiO2 (110) Surface: An Electronic Structure Study

Metal-insulator transition in epitaxial Ga-doped ZnO films via controlled thickness

First principles study of the electronic structure and magnetic properties of spin chain compounds: Ca3ZnMnO6 and Ca3ZnCoO6

Maximizing Short Circuit Current Density and Open Circuit Voltage in Oxygen Vacancy-Controlled Bi 1- x Ca x Fe 1- y Ti y O 3-δ Thin-Film Solar Cells

Development of short and long-range magnetic order in the double perovskite based frustrated triangular lattice antiferromagnet Ba2MnTeO6

Electronic structure and magnetism in half-Heusler compounds

Evidence for weak-antilocalization–weak-localization crossover and metal-insulator transition in CaCu3Ru4O12 thin films

Orbital driven impurity spin effect on the magnetic order of quasi-3D cupric oxide

Band engineering via grain boundary defect states for large scale tuning of photoconductivity in Bi1−xCaxFe1−yTiyO3−δ

Intertwined lattice deformation and magnetism in monovacancy graphene

Field-induced structural and orbital transformations leading to large bulk photovoltaic response in modified barium titanate

Defining the topological influencers and predictive principles to engineer the band structure of halide perovskites

Topologically invariant double Dirac states in bismuth-based perovskites: Consequence of ambivalent charge states and covalent bonding

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