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Theoretical and Computational Chemistry

Working Paper

Transfer Learning with Graph Neural Networks for Optoelectronic Properties of Conjugated Oligomers

Chee Kong Lee, Chengqiang Lu, Yue Yu, Qiming Sun, Chang-Yu Hsieh, Shengyu Zhang, Qi Liu, Liang Shi

Version 1 posted 16 November 2020

1,475

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1

Citations

Theoretical and Computational Chemistry

Working Paper

A simple predictor of interface orientation of fluids of disk-like anisotropic particles and its implications for organic semiconductors

Belinda Boehm, David Huang

Version 2 posted 01 February 2022

297

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Energy

Working Paper

Charge Transfer Excitation and Asymmetric Energy Transfer at the Interface of Pentacene-Perfluoropentacene Heterostacks

Anna-Katharina Hansmann, Robin C. Döring, Andre Rinn, Steffen M. Giesen, Melanie Fey, Tobias Breuer, Robert Berger, Gregor Witte, Sangam Chatterjee

Version 1 posted 01 December 2020

355

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Energy

Working Paper

Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer

Chuanding Dong, Stefan Schumacher

Version 1 posted 27 June 2019

604

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Materials Chemistry

Review

Concepts and principles of self-n-doping in perylene diimide chromophores for applications in biochemistry, energy harvesting, energy storage, and catalysis

Daniel Powell, Luisa Whittaker-Brooks

Version 1 posted 07 March 2022

509

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Materials Chemistry

Working Paper

Machine Learning, Divergent Syntheses, and X-ray Analyses of Dithienobenzothiazole-based Semiconductors Controlled by S•••N and S•••S Interactions

Takuya Ogaki, Yasunori Matsui, Haruki Okamoto, Naoyuki Nishida, Hiroyasu Sato, Toshio Asada, Hiroyoshi Naito, Hiroshi Ikeda

Version 2 posted 18 March 2024

203

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Theoretical and Computational Chemistry

Working Paper

Accessing the Electronic Structure of Liquid Crystalline Semiconductors with Bottom-Up Electronic Coarse-Graining

Chun-I Wang, Charlie Maier, Nicholas Jackson

Version 1 posted 18 December 2023

169

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Materials Chemistry

Working Paper

Thorough investigation on the high-temperature polymorphism of dipentyl-perylenediimide: thermal expansion vs polymorphic transition.

Francesco Marin, Serena Tombolesi, Tommaso Salzillo, Omer Yaffe, Lucia Maini

Version 1 posted 15 December 2021

236

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Materials Chemistry

Working Paper

Conduction of Electric Current to Organic Molecules observed by Carrier Transport Mobility Measurements

Toshiki Komatsu

Version 1 posted 16 September 2021

209

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Organic Chemistry

Working Paper

Open-shell Oligo(3,4-dioxythiophene) Radical: Synthesis and Photothermal Conversion Performance

Qi Wei, Chenghui Liao, Jiaxing Huang, Zesheng Zhang, Yuan Li

Version 1 posted 05 January 2024

176

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Refine Search

11 results in Organic semiconductor in Keywords: Organic semiconductor

Transfer Learning with Graph Neural Networks for Optoelectronic Properties of Conjugated Oligomers

A simple predictor of interface orientation of fluids of disk-like anisotropic particles and its implications for organic semiconductors

Charge Transfer Excitation and Asymmetric Energy Transfer at the Interface of Pentacene-Perfluoropentacene Heterostacks

Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer

Concepts and principles of self-n-doping in perylene diimide chromophores for applications in biochemistry, energy harvesting, energy storage, and catalysis

Machine Learning, Divergent Syntheses, and X-ray Analyses of Dithienobenzothiazole-based Semiconductors Controlled by S•••N and S•••S Interactions

Accessing the Electronic Structure of Liquid Crystalline Semiconductors with Bottom-Up Electronic Coarse-Graining

Thorough investigation on the high-temperature polymorphism of dipentyl-perylenediimide: thermal expansion vs polymorphic transition.

Conduction of Electric Current to Organic Molecules observed by Carrier Transport Mobility Measurements

Open-shell Oligo(3,4-dioxythiophene) Radical: Synthesis and Photothermal Conversion Performance

11 results in Keywords: Organic semiconductor