Electron and Ion Transfer across Interfaces of the NASICON-Type LATP Solid Electrolyte with Electrodes in All-Solid-State Batteries: A Density Functional Theory Study via an Explicit Interface Model

Hong-Kang Tian; Randy Jalem; Bo Gao; Yuta Yamamoto; Shunsuke Muto; Miyuki Sakakura; Yasutoshi Iriyama; Yoshitaka Tateyama

doi:10.1021/acsami.0c16463

Electron and Ion Transfer across Interfaces of the NASICON-Type LATP Solid Electrolyte with Electrodes in All-Solid-State Batteries: A Density Functional Theory Study via an Explicit Interface Model

ACS Applied Materials & Interfaces ◽

10.1021/acsami.0c16463 ◽

2020 ◽

Vol 12 (49) ◽

pp. 54752-54762

Author(s):

Hong-Kang Tian ◽

Randy Jalem ◽

Bo Gao ◽

Yuta Yamamoto ◽

Shunsuke Muto ◽

...

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Solid Electrolyte ◽

Density Functional ◽

Ion Transfer ◽

Interface Model ◽

Density Functional Theory Study ◽

Functional Theory ◽

Solid State Batteries ◽

All Solid State Batteries

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Density functional theory studies on Li metal electrode/garnet‐type Li 7 La 3 Zr 2 O 12 solid electrolyte interfaces for application in all‐solid‐state batteries

physica status solidi (b) ◽

10.1002/pssb.202100546 ◽

2022 ◽

Author(s):

Rinon Iwasaki ◽

Kunihiro Ishida ◽

Risa Yasuda ◽

Koki Nakano ◽

Naoto Tanibata ◽

...

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Solid Electrolyte ◽

Density Functional ◽

Metal Electrode ◽

Functional Theory ◽

Solid State Batteries ◽

All Solid State Batteries

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Understanding the Terahertz Spectra of Crystalline Pharmaceuticals: Terahertz Spectroscopy and Solid-State Density Functional Theory Study of (S)-(+)-Ibuprofen and (RS)-Ibuprofen

Journal of Pharmaceutical Sciences ◽

10.1002/jps.22339 ◽

2011 ◽

Vol 100 (3) ◽

pp. 1116-1129 ◽

Cited By ~ 50

Author(s):

Matthew D. King ◽

William D. Buchanan ◽

Timothy M. Korter

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Density Functional ◽

Terahertz Spectroscopy ◽

State Density ◽

Density Functional Theory Study ◽

Functional Theory

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Hydroxide ion transfer in anion exchange membrane: A density functional theory study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2016.03.067 ◽

2016 ◽

Vol 41 (16) ◽

pp. 6877-6884 ◽

Cited By ~ 20

Author(s):

Guoqing Yang ◽

Juanyuan Hao ◽

Jie Cheng ◽

Ning Zhang ◽

Gaohong He ◽

...

Keyword(s):

Density Functional Theory ◽

Anion Exchange ◽

Density Functional ◽

Anion Exchange Membrane ◽

Ion Transfer ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydroxide Ion ◽

Exchange Membrane

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Defect chemistry in cubic Li6.25Al0.25La3Zr2O12 solid electrolyte: A density functional theory study

Solid State Ionics ◽

10.1016/j.ssi.2019.04.023 ◽

2019 ◽

Vol 338 ◽

pp. 74-79 ◽

Cited By ~ 3

Author(s):

Ashkan Moradabadi ◽

Payam Kaghazchi

Keyword(s):

Density Functional Theory ◽

Solid Electrolyte ◽

Density Functional ◽

Defect Chemistry ◽

Density Functional Theory Study ◽

Functional Theory

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Nature of the Surface Intermediates Formed from Methane on Cu-ZSM-5 Zeolite: A Combined Solid-State Nuclear Magnetic Resonance and Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c00311 ◽

2020 ◽

Vol 124 (11) ◽

pp. 6242-6252 ◽

Cited By ~ 4

Author(s):

Alexander A. Kolganov ◽

Anton A. Gabrienko ◽

Svetlana A. Yashnik ◽

Evgeny A. Pidko ◽

Alexander G. Stepanov

Keyword(s):

Density Functional Theory ◽

Nuclear Magnetic Resonance ◽

Solid State ◽

Magnetic Resonance ◽

Density Functional ◽

Zeolite A ◽

Density Functional Theory Study ◽

Functional Theory ◽

Surface Intermediates ◽

Nuclear Magnetic

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Combined inelastic neutron scattering and solid-state density functional theory study of dynamics of hydrogen atoms in muscovite 2M1

American Mineralogist ◽

10.2138/am.2011.3618 ◽

2011 ◽

Vol 96 (2-3) ◽

pp. 301-307 ◽

Cited By ~ 2

Author(s):

L. Smrcok ◽

M. Rieder ◽

A. I. Kolesnikov ◽

G. E. Granroth

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Neutron Scattering ◽

Density Functional ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

State Density ◽

Density Functional Theory Study ◽

Hydrogen Atoms ◽

Functional Theory

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Probing Interactions of N-Donor Molecules with Open Metal Sites within Paramagnetic Cr-MIL-101: A Solid-State NMR Spectroscopic and Density Functional Theory Study

Journal of the American Chemical Society ◽

10.1021/jacs.7b10148 ◽

2018 ◽

Vol 140 (6) ◽

pp. 2135-2144 ◽

Cited By ~ 21

Author(s):

Thomas Wittmann ◽

Arobendo Mondal ◽

Carsten B. L. Tschense ◽

Johannes J. Wittmann ◽

Ottokar Klimm ◽

...

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Solid State Nmr ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Open Metal Sites

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On the possibility of hercynite formation in a solid state reaction at the Al2O3–iron interface: A density-functional theory study

Ceramics International ◽

10.1016/j.ceramint.2013.05.132 ◽

2014 ◽

Vol 40 (1) ◽

pp. 257-262 ◽

Cited By ~ 2

Author(s):

Lilit Amirkhanyan ◽

Torsten Weissbach ◽

Jens Kortus ◽

Christos G. Aneziris

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Solid State Reaction ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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A solid-state hybrid density functional theory study of Prussian blue analogues and related chlorides at pressure

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/20/33/335231 ◽

2008 ◽

Vol 20 (33) ◽

pp. 335231 ◽

Cited By ~ 6

Author(s):

Derek S Middlemiss ◽

Lorreta M Lawton ◽

Chick C Wilson

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Prussian Blue ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Prussian Blue Analogues ◽

Hybrid Density Functional

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Electrical and Lithium Ion Dynamics in Three Main Components of Solid Electrolyte Interphase from Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/jp112202s ◽

2011 ◽

Vol 115 (14) ◽

pp. 7044-7049 ◽

Cited By ~ 75

Author(s):

Y. C. Chen ◽

C. Y. Ouyang ◽

L. J. Song ◽

Z. L. Sun

Keyword(s):

Density Functional Theory ◽

Solid Electrolyte ◽

Density Functional ◽

Solid Electrolyte Interphase ◽

Lithium Ion ◽

Ion Dynamics ◽

Density Functional Theory Study ◽

Functional Theory ◽

Main Components

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