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Characterizing local metallic bonding variation induced by external perturbation

Physical chemistry chemical physics : PCCP, 2020, Vol.22 (4), p.2372-2378

2020

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Enhanced Strength Through Nanotwinning in the Thermoelectric Semiconductor InSb

Physical review letters, 2017-11, Vol.119 (21), p.215503-215503, Article 215503

2017

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Design of a Graphene Nitrene Two-Dimensional Catalyst Heterostructure Providing a Well-Defined Site Accommodating One to Three Metals, with Application to CO2 Reduction Electrocatalysis for the Two-Metal Case

The journal of physical chemistry letters, 2020-04, Vol.11 (7), p.2541-2549

2020

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Li, An, and Morozov Reply

Physical review letters, 2019-09, Vol.123 (11), p.119602-119602, Article 119602

2019

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Deciphering the Atomistic Mechanism of Si(111)‑7 × 7 Surface Reconstruction Using a Machine-Learning Force Field

Journal of the American Chemical Society, 2023-09, Vol.145 (37), p.20511-20520

2023

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Reaction Mechanism and Energetics of Decomposition of Tetrakis(1,3-dimethyltetrazol-5-imidoperchloratomanganese(II)) from Quantum-Mechanics-based Reactive Dynamics

Journal of the American Chemical Society, 2021-10, Vol.143 (41), p.16960-16975

2021

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Fracture toughness of thermoelectric materials

Materials science & engineering. R, Reports : a review journal, 2021-04, Vol.144, p.100607, Article 100607

2021

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Global Processes and Institutions: Experience of International Research and Teaching

Vestnik Volgogradskogo gosudarstvennogo universiteta. Serii͡a︡ 4, Istorii͡a, 2017-10, Vol.22 (4), p.169-171

2017

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Deformation and Failure Mechanisms of Thermoelectric Type‑I Clathrate Ba8Au6Ge40

ACS applied materials & interfaces, 2022-01, Vol.14 (3), p.4326-4334

2022

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High-Energy-Density Material with Magnetically Modulated Ignition

Journal of the American Chemical Society, 2024-02, Vol.146 (7), p.4500-4507

2024

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Growth Mechanism and Kinetics of Diamond in Liquid Gallium from Quantum Mechanics Molecular Dynamics Simulations

ACS applied materials & interfaces, 2023-07, Vol.15 (27), p.33046-33055

2023

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Deformation and Failure Mechanisms of Thermoelectric Type-I Clathrate Ba 8 Au 6 Ge 40

ACS applied materials & interfaces, 2022-01, Vol.14 (3), p.4326-4334

2022

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Dramatically reduced lattice thermal conductivity of Mg2Si thermoelectric material from nanotwinning

Acta materialia, 2019-05, Vol.169, p.9-14

2019

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Ductile deformation mechanism in semiconductor α-Ag2S

npj computational materials, 2018-08, Vol.4 (1), p.1-6, Article 44

2018

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Mechanical softening of thermoelectric semiconductor Mg2Si from nanotwinning

Scripta materialia, 2018-12, Vol.157, p.90-94

2018

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Design of a Graphene Nitrene Two-Dimensional Catalyst Heterostructure Providing a Well-Defined Site Accommodating One to Three Metals, with Application to CO 2 Reduction Electrocatalysis for the Two-Metal Case

The journal of physical chemistry letters, 2020-04, Vol.11 (7), p.2541-2549

2020

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Light irradiation induced brittle-to-ductile and ductile-to-brittle transition in inorganic semiconductors

Physical review. B, 2019-04, Vol.99 (16), p.1, Article 161202

2019

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Grain Boundaries Softening Thermoelectric Oxide BiCuSeO

ACS applied materials & interfaces, 2018-02, Vol.10 (7), p.6772-6777

2018

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Determining ideal strength and failure mechanism of thermoelectric CuInTe2 through quantum mechanics

Journal of materials chemistry. A, Materials for energy and sustainability, 2018, Vol.6 (25), p.11743-11750

2018

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Protest Activity of Modern Youth in the Context of Institutionalization of Digital Policy

Vestnik Volgogradskogo gosudarstvennogo universiteta. Serii͡a︡ 4, Istorii͡a, 2022-02 (1), p.213-224

2022

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First-Principles Modeling of Ni4M (M = Co, Fe, and Mn) Alloys as Solid Oxide Fuel Cell Anode Catalyst for Methane Reforming

Journal of physical chemistry. C, 2016-01, Vol.120 (1), p.207-214

2016

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Photomechanical effect leading to extraordinary ductility in covalent semiconductors

Physical review. B, 2019-09, Vol.100 (9), Article 094110

2019

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Estimating the lower-limit of fracture toughness from ideal-strength calculations

Materials horizons, 2022-02, Vol.9 (2), p.825-834

2022

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Brittle failure of β- and τ-boron: Amorphization under high pressure

Physical review. B, 2017-02, Vol.95 (6), Article 064108

2017

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The Mechanism of Deformation and Failure of In4Se3 Based Thermoelectric Materials

ACS applied energy materials, 2020-01, Vol.3 (1), p.1054-1062

2020

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Characterizing local metallic bonding variation induced by external perturbation

Enhanced Strength Through Nanotwinning in the Thermoelectric Semiconductor InSb

Design of a Graphene Nitrene Two-Dimensional Catalyst Heterostructure Providing a Well-Defined Site Accommodating One to Three Metals, with Application to CO2 Reduction Electrocatalysis for the Two-Metal Case

Li, An, and Morozov Reply

Deciphering the Atomistic Mechanism of Si(111)‑7 × 7 Surface Reconstruction Using a Machine-Learning Force Field

Reaction Mechanism and Energetics of Decomposition of Tetrakis(1,3-dimethyltetrazol-5-imidoperchloratomanganese(II)) from Quantum-Mechanics-based Reactive Dynamics

Fracture toughness of thermoelectric materials

Global Processes and Institutions: Experience of International Research and Teaching

Deformation and Failure Mechanisms of Thermoelectric Type‑I Clathrate Ba8Au6Ge40

High-Energy-Density Material with Magnetically Modulated Ignition

Growth Mechanism and Kinetics of Diamond in Liquid Gallium from Quantum Mechanics Molecular Dynamics Simulations

Deformation and Failure Mechanisms of Thermoelectric Type-I Clathrate Ba 8 Au 6 Ge 40

Dramatically reduced lattice thermal conductivity of Mg2Si thermoelectric material from nanotwinning

Ductile deformation mechanism in semiconductor α-Ag2S

Mechanical softening of thermoelectric semiconductor Mg2Si from nanotwinning

Design of a Graphene Nitrene Two-Dimensional Catalyst Heterostructure Providing a Well-Defined Site Accommodating One to Three Metals, with Application to CO 2 Reduction Electrocatalysis for the Two-Metal Case

Light irradiation induced brittle-to-ductile and ductile-to-brittle transition in inorganic semiconductors

Grain Boundaries Softening Thermoelectric Oxide BiCuSeO

Determining ideal strength and failure mechanism of thermoelectric CuInTe2 through quantum mechanics

Protest Activity of Modern Youth in the Context of Institutionalization of Digital Policy

First-Principles Modeling of Ni4M (M = Co, Fe, and Mn) Alloys as Solid Oxide Fuel Cell Anode Catalyst for Methane Reforming

Photomechanical effect leading to extraordinary ductility in covalent semiconductors

Estimating the lower-limit of fracture toughness from ideal-strength calculations

Brittle failure of β- and τ-boron: Amorphization under high pressure

The Mechanism of Deformation and Failure of In4Se3 Based Thermoelectric Materials

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