First-principles molecular dynamics study on ultrafast potassium ion transport in silicon anode

Journal of Power Sources ◽

10.1016/j.jpowsour.2019.01.062 ◽

2019 ◽

Vol 415 ◽

pp. 119-125 ◽

Author(s):

Sangjin Lee ◽

Sung Chul Jung ◽

Young-Kyu Han

Keyword(s):

Molecular Dynamics ◽

Ion Transport ◽

First Principles ◽

Potassium Ion ◽

Silicon Anode ◽

Potassium Ion Transport ◽

First Principles Molecular Dynamics

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Cooperative Oxide-Ion Transport in Pyrochlore Y2Ti2O7: A First-Principles Molecular Dynamics Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c03610 ◽

2021 ◽

Vol 125 (37) ◽

pp. 20460-20467

Author(s):

Ushio Matsumoto ◽

Takafumi Ogawa ◽

Craig A. J. Fisher ◽

Satoshi Kitaoka ◽

Isao Tanaka

Keyword(s):

Molecular Dynamics ◽

Ion Transport ◽

First Principles ◽

Oxide Ion ◽

First Principles Molecular Dynamics

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A Study on Electrochemical Machining Method in Ultrapure Water-First-Principles Molecular-Dynamics Simulations of Etching Process on Al(001) Cathode Surface-

Journal of the Japan Society for Precision Engineering ◽

10.2493/jjspe.69.1332 ◽

2003 ◽

Vol 69 (9) ◽

pp. 1332-1336

Author(s):

Hidekazu GOTO ◽

Kikuji HIROSE ◽

Yasushi TOMA ◽

Itsuki KOBATA ◽

Takashi INADA ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

First Principles ◽

Cathode Surface ◽

Electrochemical Machining ◽

Etching Process ◽

Ultrapure Water ◽

Dynamics Simulations ◽

First Principles Molecular Dynamics

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Evidence for an Aspartyl Phosphate Residue at the Active Site of Sodium and Potassium Ion Transport Adenosine Triphosphatase

Journal of Biological Chemistry ◽

10.1016/s0021-9258(19)43350-4 ◽

1973 ◽

Vol 248 (20) ◽

pp. 6993-7000 ◽

Author(s):

Robert L. Post ◽

Shoji Kume

Keyword(s):

Ion Transport ◽

Active Site ◽

Adenosine Triphosphatase ◽

Potassium Ion ◽

Potassium Ion Transport ◽

Sodium And Potassium

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Thermal conductivity and transport modes in glassy GeTe4 by first-principles molecular dynamics

Physical Review Materials ◽

10.1103/physrevmaterials.3.105401 ◽

2019 ◽

Vol 3 (10) ◽

Author(s):

Thuy-Quynh Duong ◽

Carlo Massobrio ◽

Guido Ori ◽

Mauro Boero ◽

Evelyne Martin

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

First Principles ◽

Transport Modes ◽

First Principles Molecular Dynamics

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Dynamics of an atomic switch computed by first-principles molecular dynamics

Physical Review B ◽

10.1103/physrevb.52.5243 ◽

1995 ◽

Vol 52 (7) ◽

pp. 5243-5246 ◽

Author(s):

P. von Allmen ◽

K. Hess

Keyword(s):

Molecular Dynamics ◽

First Principles ◽

Atomic Switch ◽

First Principles Molecular Dynamics

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Potassium Ion Transport by Valinomycin across a Hg-Supported Lipid Bilayer

Journal of the American Chemical Society ◽

10.1021/ja052920t ◽

2005 ◽

Vol 127 (38) ◽

pp. 13316-13323 ◽

Author(s):

Lucia Becucci ◽

Maria Rosa Moncelli ◽

Renate Naumann ◽

Rolando Guidelli

Keyword(s):

Ion Transport ◽

Lipid Bilayer ◽

Potassium Ion ◽

Supported Lipid Bilayer ◽

Potassium Ion Transport

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Alumina(0001)/Water Interface: Structural Properties and Infrared Spectra from First-Principles Molecular Dynamics Simulations

The Journal of Physical Chemistry C ◽

10.1021/jp4123002 ◽

2014 ◽

Vol 118 (17) ◽

pp. 8944-8951 ◽

Author(s):

Patrick Huang ◽

Tuan Anh Pham ◽

Giulia Galli ◽

Eric Schwegler

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structural Properties ◽

Infrared Spectra ◽

First Principles ◽

Water Interface ◽

Dynamics Simulations ◽

First Principles Molecular Dynamics

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Anharmonic lattice dynamics ofAg2Ostudied by inelastic neutron scattering and first-principles molecular dynamics simulations

Physical Review B ◽

10.1103/physrevb.89.054306 ◽

2014 ◽

Vol 89 (5) ◽

Author(s):

Tian Lan ◽

Chen W. Li ◽

J. L. Niedziela ◽

Hillary Smith ◽

Douglas L. Abernathy ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Molecular Dynamics Simulations ◽

First Principles ◽

Lattice Dynamics ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Anharmonic Lattice ◽

Dynamics Simulations ◽

First Principles Molecular Dynamics

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First‐Principles Molecular Dynamics Study of the Threshold Displacement Energy in LiFe 5 O 8

Crystal Research and Technology ◽

10.1002/crat.202100076 ◽

2021 ◽

pp. 2100076

Author(s):

Shijie Tan ◽

Wei Zhang ◽

Feng Jiao ◽

Yongchuan Zhou ◽

Lu Yang ◽

...

Keyword(s):

Molecular Dynamics ◽

First Principles ◽

Displacement Energy ◽

Threshold Displacement ◽

First Principles Molecular Dynamics

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Conformational changes of renal sodium plus potassium ion-transport adenosine triphosphatase labeled with fluorescein.

Journal of Biological Chemistry ◽

10.1016/s0021-9258(19)69162-3 ◽

1981 ◽

Vol 256 (12) ◽

pp. 6296-6303 ◽

Author(s):

C. Hegyvary ◽

P.L. Jorgensen

Keyword(s):

Ion Transport ◽

Conformational Changes ◽

Adenosine Triphosphatase ◽

Potassium Ion ◽

Potassium Ion Transport

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