# Statistical Analysis of Interatomic Transfer Integrals for exploring high-mobility organic semiconductors

https://mdr.nims.go.jp/datasets/9a347089-716c-4e0b-8e9c-52319843c79f

## File

- [Statistical Analysis of Interatomic Transfer Integrals for exploring high-mobility organic semiconductors.pdf](https://mdr.nims.go.jp/filesets/d7e25402-7961-4c62-b6e5-312e702cced5/download) ([Detail](https://mdr.nims.go.jp/filesets/d7e25402-7961-4c62-b6e5-312e702cced5.md))

## Id

9a347089-716c-4e0b-8e9c-52319843c79f

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-06-03T05:20:55.444745Z

## Updated at

2024-06-03T23:30:18.241608Z

## Published at

2024-06-03T23:30:18.360279Z

## Doi

https://doi.org/10.48505/nims.4530

## First published url

https://doi.org/10.1080/14686996.2024.2354652

## Date published

2024-12-31

## Recorded date published

2024-12-31

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Statistical Analysis of Interatomic Transfer Integrals for exploring high-mobility
    organic semiconductors
  title_type: original
  lang: en

## Description

- description: Charge transport in organic semiconductors occurs via overlapping molecular
    orbitals quantified by transfer integrals. However, no statistical study of transfer
    integrals for a wide variety of molecules has been reported. Here we present a
    statistical analysis of transfer integrals for more than 27,000 organic compounds
    in the Cambridge Structural Database. Interatomic transfer integrals were used
    to identify substructures with high transfer integrals. As a result, thione and
    amine groups as in thiourea were found to exhibit high transfer integrals. Such
    compounds are considered as potential non-aromatic, water soluble organic semiconductors.
  description_type: abstract
  lang: en

## Creator

- name: Koki Ozawa
  role: author
  organization: Toyota Central R&D Labs. Inc
- name: Tomoharu Okada
  role: author
- name: Hiroyuki Matsui
  role: author
  organization: Yamagata University
  department: Research Center for Organic Electronics (ROEL)

## Contact agent



## Publisher

organization: Taylor & Francis

## Managing organization



## Keyword

- subject: " Organic semiconductors"
  schema: not_defined
- subject: transfer integrals
  schema: not_defined
- subject: density functional theory
  schema: not_defined
- subject: materials informatics
  schema: not_defined
- subject: organic transistors
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by-nc/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Science and Technology of Advanced Materials
  issn: '14686996'
  volume: '25'
  article_number: '2354652'

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## Specimen



## Chemical composition



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## Fileset

- id: d7e25402-7961-4c62-b6e5-312e702cced5
  filename: Statistical Analysis of Interatomic Transfer Integrals for exploring high-mobility
    organic semiconductors.pdf
  content_type: application/pdf
  size: 2494599
  md5: 70ef6539a0fe4421ff40b4025b3d12ae

## Thumbnail

fileset_id: d7e25402-7961-4c62-b6e5-312e702cced5
filename: Statistical Analysis of Interatomic Transfer Integrals for exploring high-mobility
  organic semiconductors.pdf