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Nickel‐Based Transition Metal Nitride Electrocatalysts for the Oxygen Evolution Reaction

ChemSusChem, 2019-09, Vol.12 (17), p.3941-3954

2019

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Magnetism, half-metallicity and bonding in AlFeO3 and the impact of In-doping

Journal of magnetism and magnetic materials, 2020-03, Vol.497, p.165909, Article 165909

2020

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Prediction of nature of band gap of perovskite oxides (ABO3) using a machine learning approach

Journal of Materiomics, 2022-09, Vol.8 (5), p.937-948

2022

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Discovery of direct band gap perovskites for light harvesting by using machine learning

Computational materials science, 2022-07, Vol.210, p.111476, Article 111476

2022

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A Surface‐Oxide‐Rich Activation Layer (SOAL) on Ni2Mo3N for a Rapid and Durable Oxygen Evolution Reaction

Angewandte Chemie International Edition, 2020-10, Vol.59 (41), p.18036-18041

International ed. in English, 2020

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Direct band gap narrowing and light-harvesting-potential in orthorhombic In-doped-AlFeO3 perovskite: A first principles study

Journal of alloys and compounds, 2018-06, Vol.750, p.312-319

2018

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Structural stability, electronic structure and mechanical properties of ZnN and CdN: A first principles study

Computational materials science, 2015-03, Vol.99, p.117-124

2015

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Design of hydrangea-type Co/Mo bimetal MOFs and MOF-derived Co/Mo2C embedded carbon composites for highly efficient oxygen evolution reaction

Chemical engineering journal (Lausanne, Switzerland : 1996), 2022-05, Vol.435, p.134815, Article 134815

2022

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Structural and mechanical properties of NiTiAg shape memory alloys: ab-initio study

Modelling and simulation in materials science and engineering, 2023-09, Vol.31 (6), p.65004

2023

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Effective mass and optical properties of orthorhombic Al1−xInxFeO3 perovskite: An ab-initio study

Computational materials science, 2019-03, Vol.159, p.222-227

2019

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Advanced prediction of perovskite stability for solar energy using machine learning

Solar energy, 2024-08, Vol.278, p.112782, Article 112782

2024

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Mixed ternary transition metal nitrides: A comprehensive review of synthesis, electronic structure, and properties of engineering relevance

Progress in solid state chemistry, 2019-03, Vol.53, p.1-26

2019

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Structural stability, electronic, mechanical and superconducting properties of CrC and MoC

Materials chemistry and physics, 2016-02, Vol.169, p.71-81

2016

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Structural, electronic and elastic properties of alkali hydrides (MH: M=Li, Na, K, Rb, Cs): Ab initio study

Computational materials science, 2014-03, Vol.84, p.206-216

2014

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Structural stability, electronic structure and mechanical properties of platinum group metal nitrides PGMN (PGM=Os, Ir, Pt)

International journal of refractory metals & hard materials, 2015-01, Vol.48, p.382-397

2015

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Structural, electronic and mechanical properties of alkaline earth metal oxides MO (M=Be, Mg, Ca, Sr, Ba)

The Journal of physics and chemistry of solids, 2015-04, Vol.79, p.23-42

2015

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Structural, electronic, elastic and superconducting properties of noble metal nitrides MN2 (M = Ru, Rh, Pd)

Materials chemistry and physics, 2015-02, Vol.151, p.149-159

2015

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First principles study of the structural, electronic, mechanical and superconducting properties of WX (X=C, N)

The Journal of physics and chemistry of solids, 2015-02, Vol.77, p.38-49

2015

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First principles study of structural stability, electronic structure and mechanical properties of ReN and TcN

The Journal of physics and chemistry of solids, 2015-03, Vol.78, p.118-126

2015

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Structural, electronic, mechanical and superconducting properties of ReC and TcC

International journal of refractory metals & hard materials, 2015-09, Vol.52, p.219-228

2015

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Structural, electronic, mechanical and magnetic properties of rare-earth nitrides REN (RE=Ce, Pr, Nd): A first principles study

Materials science in semiconductor processing, 2016-01, Vol.41, p.17-25

2016

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Structural, electronic and elastic properties of noble metal sub-nitrides M2N (M=Ru, Rh, Pd)

International journal of refractory metals & hard materials, 2014-11, Vol.47, p.113-123

2014

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Half metallic ferromagnetism in alkaline-earth metal nitrides XN (X=Ca, Sr and Ba): A first principles study

Journal of magnetism and magnetic materials, 2013-11, Vol.346, p.26-37

2013

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First principles study of structural, electronic and elastic properties of group IB metal nitrides TMNx (TM=Cu, Ag and Au: x=1, 2)

Journal of alloys and compounds, 2013-12, Vol.580, p.332-340

2013

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A Surface‐Oxide‐Rich Activation Layer (SOAL) on Ni2Mo3N for a Rapid and Durable Oxygen Evolution Reaction

Angewandte Chemie, 2020-10, Vol.132 (41), p.18192-18197

2020

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Nickel‐Based Transition Metal Nitride Electrocatalysts for the Oxygen Evolution Reaction

Magnetism, half-metallicity and bonding in AlFeO3 and the impact of In-doping

Prediction of nature of band gap of perovskite oxides (ABO3) using a machine learning approach

Discovery of direct band gap perovskites for light harvesting by using machine learning

A Surface‐Oxide‐Rich Activation Layer (SOAL) on Ni2Mo3N for a Rapid and Durable Oxygen Evolution Reaction

Direct band gap narrowing and light-harvesting-potential in orthorhombic In-doped-AlFeO3 perovskite: A first principles study

Structural stability, electronic structure and mechanical properties of ZnN and CdN: A first principles study

Design of hydrangea-type Co/Mo bimetal MOFs and MOF-derived Co/Mo2C embedded carbon composites for highly efficient oxygen evolution reaction

Structural and mechanical properties of NiTiAg shape memory alloys: ab-initio study

Effective mass and optical properties of orthorhombic Al1−xInxFeO3 perovskite: An ab-initio study

Advanced prediction of perovskite stability for solar energy using machine learning

Mixed ternary transition metal nitrides: A comprehensive review of synthesis, electronic structure, and properties of engineering relevance

Structural stability, electronic, mechanical and superconducting properties of CrC and MoC

Structural, electronic and elastic properties of alkali hydrides (MH: M=Li, Na, K, Rb, Cs): Ab initio study

Structural stability, electronic structure and mechanical properties of platinum group metal nitrides PGMN (PGM=Os, Ir, Pt)

Structural, electronic and mechanical properties of alkaline earth metal oxides MO (M=Be, Mg, Ca, Sr, Ba)

Structural, electronic, elastic and superconducting properties of noble metal nitrides MN2 (M = Ru, Rh, Pd)

First principles study of the structural, electronic, mechanical and superconducting properties of WX (X=C, N)

First principles study of structural stability, electronic structure and mechanical properties of ReN and TcN

Structural, electronic, mechanical and superconducting properties of ReC and TcC

Structural, electronic, mechanical and magnetic properties of rare-earth nitrides REN (RE=Ce, Pr, Nd): A first principles study

Structural, electronic and elastic properties of noble metal sub-nitrides M2N (M=Ru, Rh, Pd)

Half metallic ferromagnetism in alkaline-earth metal nitrides XN (X=Ca, Sr and Ba): A first principles study

First principles study of structural, electronic and elastic properties of group IB metal nitrides TMNx (TM=Cu, Ag and Au: x=1, 2)

A Surface‐Oxide‐Rich Activation Layer (SOAL) on Ni2Mo3N for a Rapid and Durable Oxygen Evolution Reaction

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