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Physical Chemistry Chemical Physics : PCCP
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August 3, 2021
Proton transport mechanism and pathways in the superprotonic phase of M<sub>3</sub>H(AO<sub>4</sub>)<sub>2</sub> solid acids from <i>ab initio</i> molecular dynamics simulations
Boris V Merinov, Sergey I Morozov
Physical Review Letters
|
October 2, 2019
Li, An, and Morozov Reply
Guodong Li, Qi An, Sergey I Morozov
Physical Chemistry Chemical Physics : PCCP
|
January 15, 2020
Characterizing local metallic bonding variation induced by external perturbation
Hongwei Wang, Jon Fuller, Peng Chen, et al.
Journal of the American Chemical Society
|
September 7, 2023
Deciphering the Atomistic Mechanism of Si(111)-7 × 7 Surface Reconstruction Using a Machine-Learning Force Field
Yidi Shen, Sergey I Morozov, Kun Luo, et al.
Physical Review Letters
|
December 9, 2017
Enhanced Strength Through Nanotwinning in the Thermoelectric Semiconductor InSb
Guodong Li, Sergey I Morozov, Qingjie Zhang, et al.
Journal of the American Chemical Society
|
October 8, 2021
Reaction Mechanism and Energetics of Decomposition of Tetrakis(1,3-dimethyltetrazol-5-imidoperchloratomanganese(II)) from Quantum-Mechanics-based Reactive Dynamics
Sergey V Zybin, Sergey I Morozov, Prabhat Prakash, et al.
The Journal of Physical Chemistry Letters
|
March 13, 2020
Design of a Graphene Nitrene Two-Dimensional Catalyst Heterostructure Providing a Well-Defined Site Accommodating One to Three Metals, with Application to CO<sub>2</sub> Reduction Electrocatalysis for the Two-Metal Case
Shiqian Chen, Hao Yuan, Sergey I Morozov, et al.
ACS Applied Materials & Interfaces
|
June 27, 2023
Growth Mechanism and Kinetics of Diamond in Liquid Gallium from Quantum Mechanics Molecular Dynamics Simulations
Yidi Shen, Sergey I Morozov, Dulce C Camacho-Mojica, et al.
ACS Applied Materials & Interfaces
|
February 7, 2018
Grain Boundaries Softening Thermoelectric Oxide BiCuSeO
Guodong Li, Shiqiang Hao, Sergey I Morozov, et al.
Materials Horizons
|
December 16, 2021
Estimating the lower-limit of fracture toughness from ideal-strength calculations
Leah Borgsmiller, Matthias T Agne, James P Male, et al.
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Search research articles
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Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
August 3, 2021
Proton transport mechanism and pathways in the superprotonic phase of M<sub>3</sub>H(AO<sub>4</sub>)<sub>2</sub> solid acids from <i>ab initio</i> molecular dynamics simulations
Boris V Merinov, Sergey I Morozov
Physical Review Letters
|
October 2, 2019
Li, An, and Morozov Reply
Guodong Li, Qi An, Sergey I Morozov
Physical Chemistry Chemical Physics : PCCP
|
January 15, 2020
Characterizing local metallic bonding variation induced by external perturbation
Hongwei Wang, Jon Fuller, Peng Chen, et al.
Journal of the American Chemical Society
|
September 7, 2023
Deciphering the Atomistic Mechanism of Si(111)-7 × 7 Surface Reconstruction Using a Machine-Learning Force Field
Yidi Shen, Sergey I Morozov, Kun Luo, et al.
Physical Review Letters
|
December 9, 2017
Enhanced Strength Through Nanotwinning in the Thermoelectric Semiconductor InSb
Guodong Li, Sergey I Morozov, Qingjie Zhang, et al.
Journal of the American Chemical Society
|
October 8, 2021
Reaction Mechanism and Energetics of Decomposition of Tetrakis(1,3-dimethyltetrazol-5-imidoperchloratomanganese(II)) from Quantum-Mechanics-based Reactive Dynamics
Sergey V Zybin, Sergey I Morozov, Prabhat Prakash, et al.
The Journal of Physical Chemistry Letters
|
March 13, 2020
Design of a Graphene Nitrene Two-Dimensional Catalyst Heterostructure Providing a Well-Defined Site Accommodating One to Three Metals, with Application to CO<sub>2</sub> Reduction Electrocatalysis for the Two-Metal Case
Shiqian Chen, Hao Yuan, Sergey I Morozov, et al.
ACS Applied Materials & Interfaces
|
June 27, 2023
Growth Mechanism and Kinetics of Diamond in Liquid Gallium from Quantum Mechanics Molecular Dynamics Simulations
Yidi Shen, Sergey I Morozov, Dulce C Camacho-Mojica, et al.
ACS Applied Materials & Interfaces
|
February 7, 2018
Grain Boundaries Softening Thermoelectric Oxide BiCuSeO
Guodong Li, Shiqiang Hao, Sergey I Morozov, et al.
Materials Horizons
|
December 16, 2021
Estimating the lower-limit of fracture toughness from ideal-strength calculations
Leah Borgsmiller, Matthias T Agne, James P Male, et al.
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of 2