Conceptual design of tetraazaporphyrin- and subtetraazaporphyrin-based functional nanocarbon materials: electronic structures, topologies, optical properties, and methane storage capacities-Reference-Cited by-同舟云学术

Conceptual design of tetraazaporphyrin- and subtetraazaporphyrin-based functional nanocarbon materials: electronic structures, topologies, optical properties, and methane storage capacities

Published:2016 Issue:19 Volume:18 Page:13503-13518
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Belosludov Rodion V.¹²³⁴,Rhoda Hannah M.⁵⁶⁷⁸,Zhdanov Ravil K.⁹¹⁰¹¹¹²,Belosludov Vladimir R.⁹¹⁰¹¹¹²,Kawazoe Yoshiyuki¹³²¹⁴⁴,Nemykin Victor N.⁵⁶⁷⁸

Affiliation:

1. Institute for Materials Research

2. Tohoku University

3. Sendai

4. Japan

5. Department of Chemistry and Biochemistry

6. University of Minnesota Duluth

7. Duluth

8. USA

9. Nikolaev Institute of Inorganic Chemistry

10. SB RAS

11. Novosibirsk 630090

12. Russia

13. New Industry Creation Hatchery Center

14. Aramaki

Abstract

A conceptual design of the three- and four-fold tetraazaporphyrin- and sutetraazaporphyrin-based functional 3D nanocage and nanobarrel structures have been proposed on the basis of DFT, TDDFT, and MD calculations.

Funder

Division of Chemistry

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP07552A

Reference170 articles.

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