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Paper Abstract and Keywords
Presentation 2014-10-24 13:00
Analysis of adsorption state of organic ions in nitrogen-doped carbon materials by density functional theory.
Tomoaki Sugisawa, Daisuke Iwakiri, Yuki Inden, Yuki Matsui, Yoshiki Kajiura, Yoshiya Tanaka, Takuya Hayashi, Hiroyuki Muramatsu (Shinshu Univ.) CPM2014-103
Abstract (in Japanese) (See Japanese page) 
(in English) Nitrogen-doped carbon materials is known that to exhibit a high capacity by using as an electrode material for electric double layer capacitor, but the relevance of capacitance and nitrogen functional group is not clear. In this research, I analyzed binding energy that is occurring between the electrolyte ions and graphene model by Density Functional Theory. In addition I calculated charge-density of graphene model. As a result, I found that nitrogen functional groups have the effect of promoting the adsorption of ions, because doping of edge structure changes charge-density of carbon materials for increasing the binding energy of the cation and anion.
Keyword (in Japanese) (See Japanese page) 
(in English) Density Functional Theory / Electric Double Layer Capacitor / Absorption / Simulation / / / /  
Reference Info. IEICE Tech. Rep., vol. 114, no. 276, CPM2014-103, pp. 11-12, Oct. 2014.
Paper # CPM2014-103 
Date of Issue 2014-10-17 (CPM) 
ISSN Print edition: ISSN 0913-5685    Online edition: ISSN 2432-6380
Copyright
and
reproduction		 All rights are reserved and no part of this publication may be reproduced or transmitted in any form or by any means, electronic or mechanical, including photocopy, recording, or any information storage and retrieval system, without permission in writing from the publisher. Notwithstanding, instructors are permitted to photocopy isolated articles for noncommercial classroom use without fee. (License No.: 10GA0019/12GB0052/13GB0056/17GB0034/18GB0034)
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Conference Information
Committee CPM  
Conference Date 2014-10-24 - 2014-10-25 
Place (in Japanese) (See Japanese page) 
Place (in English)  
Topics (in Japanese) (See Japanese page) 
Topics (in English)  
Paper Information
Registration To CPM 
Conference Code 2014-10-CPM 
Language Japanese 
Title (in Japanese) (See Japanese page) 
Sub Title (in Japanese) (See Japanese page) 
Title (in English) Analysis of adsorption state of organic ions in nitrogen-doped carbon materials by density functional theory. 
Sub Title (in English)  
Keyword(1) Density Functional Theory  
Keyword(2) Electric Double Layer Capacitor  
Keyword(3) Absorption  
Keyword(4) Simulation  
Keyword(5)  
Keyword(6)  
Keyword(7)  
Keyword(8)  
1st Author's Name Tomoaki Sugisawa  
1st Author's Affiliation Shinshu University (Shinshu Univ.)
2nd Author's Name Daisuke Iwakiri  
2nd Author's Affiliation Shinshu University (Shinshu Univ.)
3rd Author's Name Yuki Inden  
3rd Author's Affiliation Shinshu University (Shinshu Univ.)
4th Author's Name Yuki Matsui  
4th Author's Affiliation Shinshu University (Shinshu Univ.)
5th Author's Name Yoshiki Kajiura  
5th Author's Affiliation Shinshu University (Shinshu Univ.)
6th Author's Name Yoshiya Tanaka  
6th Author's Affiliation Shinshu University (Shinshu Univ.)
7th Author's Name Takuya Hayashi  
7th Author's Affiliation Shinshu University (Shinshu Univ.)
8th Author's Name Hiroyuki Muramatsu  
8th Author's Affiliation Shinshu University (Shinshu Univ.)
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Speaker Author-1 
Date Time 2014-10-24 13:00:00 
Presentation Time 20 minutes 
Registration for CPM 
Paper # CPM2014-103 
Volume (vol) vol.114 
Number (no) no.276 
Page pp.11-12 
#Pages 2 
Date of Issue 2014-10-17 (CPM) 

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