Ion Solvation and Transport in Narrow Carbon Nanotubes: Effects of Polarizability, Cation-&#960; Interaction, and Confinement.

Aydin, Fikret; Moradzadeh, Alireza; Bilodeau, Camille L; Lau, Edmond Y; Schwegler, Eric; Aluru, Narayana R; Pham, Tuan Anh

Ion Solvation and Transport in Narrow Carbon Nanotubes: Effects of Polarizability, Cation-π Interaction, and Confinement.

Aydin, Fikret; Moradzadeh, Alireza; Bilodeau, Camille L; Lau, Edmond Y; Schwegler, Eric; Aluru, Narayana R; Pham, Tuan Anh.

Afiliación

Aydin F; Quantum Simulations Group, Materials Science Division, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, California 94550, United States.
Moradzadeh A; Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States.
Bilodeau CL; Department of Chemical and Biological Engineering and Center for Biotechnology and Interdisciplinary Studies, Rensselaer Polytechnic Institute, Troy, New York 12180, United States.
Lau EY; Biosciences and Biotechnology Division, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, California 94550, United States.
Schwegler E; Quantum Simulations Group, Materials Science Division, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, California 94550, United States.
Aluru NR; Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States.
Pham TA; Quantum Simulations Group, Materials Science Division, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, California 94550, United States.

J Chem Theory Comput ; 17(3): 1596-1605, 2021 Mar 09.

Article en En | MEDLINE | ID: mdl-33625224

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2021 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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