Thermodiffusion and ion transport in doped ceria by molecular dynamics simulations

Acta Materialia ◽

10.1016/j.actamat.2021.116802 ◽

2021 ◽

Vol 210 ◽

pp. 116802

Author(s):

Steffen Grieshammer ◽

Irina V. Belova ◽

Graeme E. Murch

Keyword(s):

Molecular Dynamics ◽

Ion Transport ◽

Molecular Dynamics Simulations ◽

Doped Ceria ◽

Dynamics Simulations

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The fracture behavior of non-stoichiometric gadolinia-doped ceria solid electrolytes using molecular dynamics simulations

Materials Today Communications ◽

10.1016/j.mtcomm.2020.101793 ◽

2020 ◽

pp. 101793

Author(s):

Tianyu Guan ◽

Zhiqiang Yang ◽

Yi Sun ◽

Yizhi Liu ◽

Yuhang Jing ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Solid Electrolytes ◽

Fracture Behavior ◽

Doped Ceria ◽

Dynamics Simulations

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Structure and Ion Transport in Ionic Liquids and Liquid Electrolytes from Molecular Dynamics Simulations

ECS Meeting Abstracts ◽

10.1149/ma2010-01/38/1729 ◽

2010 ◽

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Ion Transport ◽

Molecular Dynamics Simulations ◽

Liquid Electrolytes ◽

Dynamics Simulations

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Molecular Dynamics Simulations and Experimental Study of Lithium Ion Transport in Dilithium Ethylene Dicarbonate

The Journal of Physical Chemistry C ◽

10.1021/jp4000494 ◽

2013 ◽

Vol 117 (15) ◽

pp. 7433-7444 ◽

Author(s):

Oleg Borodin ◽

Guorong V. Zhuang ◽

Philip N. Ross ◽

Kang Xu

Keyword(s):

Molecular Dynamics ◽

Experimental Study ◽

Ion Transport ◽

Molecular Dynamics Simulations ◽

Lithium Ion ◽

Dynamics Simulations

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Molecular dynamics simulations of ion transport through carbon nanotubes. I. Influence of geometry, ion specificity, and many-body interactions

The Journal of Chemical Physics ◽

10.1063/1.3387972 ◽

2010 ◽

Vol 132 (16) ◽

pp. 164513 ◽

Author(s):

Titus A. Beu

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Ion Transport ◽

Molecular Dynamics Simulations ◽

Many Body ◽

Ion Specificity ◽

Dynamics Simulations ◽

Many Body Interactions

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Molecular Dynamics Simulations of Ion Transport in Carbon Nanotube Channels

The Journal of Physical Chemistry C ◽

10.1021/jp5103669 ◽

2015 ◽

Vol 119 (4) ◽

pp. 1659-1666 ◽

Author(s):

Olga N. Samoylova ◽

Emvia I. Calixte ◽

Kevin L. Shuford

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Ion Transport ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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Molecular Dynamics Simulations of Lithium Ion Transport through a Model Solid Electrolyte Interphase (SEI) Layer

ECS Transactions ◽

10.1149/07711.1155ecst ◽

2017 ◽

Vol 77 (11) ◽

pp. 1155-1162 ◽

Author(s):

Ajay Muralidharan ◽

Mangesh Chaudhari ◽

Susan Rempe ◽

Lawrence R Pratt

Keyword(s):

Molecular Dynamics ◽

Ion Transport ◽

Solid Electrolyte ◽

Molecular Dynamics Simulations ◽

Solid Electrolyte Interphase ◽

Lithium Ion ◽

Sei Layer ◽

Dynamics Simulations

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Thermomechanical Properties of Non-Stoichiometric Gadolinium Doped Ceria by Molecular Dynamics Simulations

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2013.2856 ◽

2013 ◽

Vol 10 (6) ◽

pp. 1359-1365 ◽

Author(s):

Zhiwei Cui ◽

Yi Sun ◽

Jianmin Qu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Thermomechanical Properties ◽

Doped Ceria ◽

Dynamics Simulations ◽

Gadolinium Doped Ceria

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Field-enhanced ion transport in solids: Reexamination with molecular dynamics simulations

Physical Review B ◽

10.1103/physrevb.94.224304 ◽

2016 ◽

Vol 94 (22) ◽

Author(s):

A. R. Genreith-Schriever ◽

R. A. De Souza

Keyword(s):

Molecular Dynamics ◽

Ion Transport ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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Molecular dynamics simulations of ion transport through carbon nanotubes. II. Structural effects of the nanotube radius, solute concentration, and applied electric fields

The Journal of Chemical Physics ◽

10.1063/1.3615727 ◽

2011 ◽

Vol 135 (4) ◽

pp. 044515 ◽

Author(s):

Titus A. Beu

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Ion Transport ◽

Molecular Dynamics Simulations ◽

Electric Fields ◽

Solute Concentration ◽

Structural Effects ◽

Dynamics Simulations

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Dopant effect on Li+ ion transport in NASICON-type solid electrolyte: Insights from molecular dynamics simulations and experiments

Ceramics International ◽

10.1016/j.ceramint.2022.01.075 ◽

2022 ◽

Author(s):

Bhargav Akkinepally ◽

I. Neelakanta Reddy ◽

Tae Jo Ko ◽

Kisoo Yoo ◽

Jaesool Shim

Keyword(s):

Molecular Dynamics ◽

Ion Transport ◽

Solid Electrolyte ◽

Molecular Dynamics Simulations ◽

Dopant Effect ◽

Nasicon Type ◽

Li Ion ◽

Dynamics Simulations

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