Extensive first-principles molecular dynamics study on Li encapsulation into C60 and its experimental confirmation-Reference-Cited by-同舟云学术

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Extensive first-principles molecular dynamics study on Li encapsulation into C60 and its experimental confirmation

Published:2018 Issue:4 Volume:10 Page:1825-1836
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Ohno K.¹²³⁴^ORCID,Manjanath A.¹²³⁴^ORCID,Kawazoe Y.⁵⁶⁷⁴⁸,Hatakeyama R.⁹⁶⁷⁴,Misaizu F.⁵⁶⁷⁴¹⁰^ORCID,Kwon E.⁵⁶⁷⁴¹¹^ORCID,Fukumura H.¹⁰⁶¹²⁴,Ogasawara H.¹³⁶¹²⁴,Yamada Y.¹⁴¹⁵¹⁶⁴,Zhang C.¹⁴¹⁵¹⁶⁴,Sumi N.¹⁴¹⁵¹⁶⁴,Kamigaki T.¹⁷¹⁸⁴,Kawachi K.¹⁷¹⁸⁴,Yokoo K.¹⁷¹⁸⁴,Ono S.¹⁷¹⁸⁴,Kasama Y.¹⁷¹⁸⁴

Affiliation:

1. Department of Physics

2. Yokohama National University

3. Yokohama 240-8501

4. Japan

5. New Industry Creation Hatchery Center

6. Tohoku University

7. Sendai 980-8579

8. Department of Physics and Nanotechnology

9. Department of Electronic Engineering

10. Department of Chemistry

11. Research and Analytical Center for Giant Molecules, Graduate School of Science, Tohoku University

12. Sendai 980-8578

13. Graduate School of Pharmaceutical Science

14. Division of Applied Physics

15. University of Tsukuba

16. Tsukuba

17. Idea International Corporation

18. Sendai 981-0922

Abstract

We propose a strategy to further increase the production ratio of Li⁺@C₆₀.

Funder

Ministry of Education, Culture, Sports, Science and Technology

New Energy and Industrial Technology Development Organization

Tohoku University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2018/NR/C7NR07237F

Reference48 articles.

1. http://www.ks.uiuc.edu/Research/vmd/

2. Noble Gas Atoms Inside Fullerenes

3. Ab InitioMolecular Dynamics Simulations for Collision betweenC60−and Alkali-Metal Ions: A Possibility of Li@C60

4. Production and control of K–C60 plasma for material processing

5. Endohedral fullerene production

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1. Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans’ theorem: An accurate description of methane photolysis;The Journal of Chemical Physics;2024-05-08

2. Electronic structure of Li+@C60 adsorbed on methyl-ammonium lead iodide perovskite CH3NH3PbI3 surfaces;Materials Advances;2022

3. Creation of Mo/Tc@C60 and Au@C60 and molecular-dynamics simulations;RSC Advances;2021

4. Correction: Penetrating probability and cross section of the Li+–C60 encapsulation process through an ab initio molecular dynamics investigation;Physical Chemistry Chemical Physics;2018

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