--- _id: '51221' abstract: - lang: eng text: Charge transfer mechanism in the deprotonation-induced n-type doping of PCBM. author: - first_name: Chuan-Ding full_name: Dong, Chuan-Ding id: '67188' last_name: Dong - first_name: Fabian full_name: Bauch, Fabian id: '61389' last_name: Bauch orcid: 0009-0008-6279-077X - first_name: Yuanyuan full_name: Hu, Yuanyuan last_name: Hu - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Dong C-D, Bauch F, Hu Y, Schumacher S. Charge transfer in superbase n-type doping of PCBM induced by deprotonation. Physical Chemistry Chemical Physics. 2024;26(5):4194-4199. doi:10.1039/d3cp05105f apa: Dong, C.-D., Bauch, F., Hu, Y., & Schumacher, S. (2024). Charge transfer in superbase n-type doping of PCBM induced by deprotonation. Physical Chemistry Chemical Physics, 26(5), 4194–4199. https://doi.org/10.1039/d3cp05105f bibtex: '@article{Dong_Bauch_Hu_Schumacher_2024, title={Charge transfer in superbase n-type doping of PCBM induced by deprotonation}, volume={26}, DOI={10.1039/d3cp05105f}, number={5}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Dong, Chuan-Ding and Bauch, Fabian and Hu, Yuanyuan and Schumacher, Stefan}, year={2024}, pages={4194–4199} }' chicago: 'Dong, Chuan-Ding, Fabian Bauch, Yuanyuan Hu, and Stefan Schumacher. “Charge Transfer in Superbase N-Type Doping of PCBM Induced by Deprotonation.” Physical Chemistry Chemical Physics 26, no. 5 (2024): 4194–99. https://doi.org/10.1039/d3cp05105f.' ieee: 'C.-D. Dong, F. Bauch, Y. Hu, and S. Schumacher, “Charge transfer in superbase n-type doping of PCBM induced by deprotonation,” Physical Chemistry Chemical Physics, vol. 26, no. 5, pp. 4194–4199, 2024, doi: 10.1039/d3cp05105f.' mla: Dong, Chuan-Ding, et al. “Charge Transfer in Superbase N-Type Doping of PCBM Induced by Deprotonation.” Physical Chemistry Chemical Physics, vol. 26, no. 5, Royal Society of Chemistry (RSC), 2024, pp. 4194–99, doi:10.1039/d3cp05105f. short: C.-D. Dong, F. Bauch, Y. Hu, S. Schumacher, Physical Chemistry Chemical Physics 26 (2024) 4194–4199. date_created: 2024-02-07T14:15:44Z date_updated: 2024-02-07T14:35:55Z department: - _id: '35' - _id: '15' doi: 10.1039/d3cp05105f intvolume: ' 26' issue: '5' keyword: - Physical and Theoretical Chemistry - General Physics and Astronomy language: - iso: eng page: 4194-4199 publication: Physical Chemistry Chemical Physics publication_identifier: issn: - 1463-9076 - 1463-9084 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: Charge transfer in superbase n-type doping of PCBM induced by deprotonation type: journal_article user_id: '61389' volume: 26 year: '2024' ... --- _id: '52534' author: - first_name: Fabian full_name: Bauch, Fabian id: '61389' last_name: Bauch orcid: 0009-0008-6279-077X - first_name: Chuan-Ding full_name: Dong, Chuan-Ding id: '67188' last_name: Dong - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Bauch F, Dong C-D, Schumacher S. Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers. The Journal of Physical Chemistry C. 2024;128(8):3525-3532. doi:10.1021/acs.jpcc.3c07513 apa: Bauch, F., Dong, C.-D., & Schumacher, S. (2024). Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers. The Journal of Physical Chemistry C, 128(8), 3525–3532. https://doi.org/10.1021/acs.jpcc.3c07513 bibtex: '@article{Bauch_Dong_Schumacher_2024, title={Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers}, volume={128}, DOI={10.1021/acs.jpcc.3c07513}, number={8}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}, year={2024}, pages={3525–3532} }' chicago: 'Bauch, Fabian, Chuan-Ding Dong, and Stefan Schumacher. “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers.” The Journal of Physical Chemistry C 128, no. 8 (2024): 3525–32. https://doi.org/10.1021/acs.jpcc.3c07513.' ieee: 'F. Bauch, C.-D. Dong, and S. Schumacher, “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers,” The Journal of Physical Chemistry C, vol. 128, no. 8, pp. 3525–3532, 2024, doi: 10.1021/acs.jpcc.3c07513.' mla: Bauch, Fabian, et al. “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers.” The Journal of Physical Chemistry C, vol. 128, no. 8, American Chemical Society (ACS), 2024, pp. 3525–32, doi:10.1021/acs.jpcc.3c07513. short: F. Bauch, C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C 128 (2024) 3525–3532. date_created: 2024-03-13T12:23:15Z date_updated: 2024-03-14T09:27:57Z department: - _id: '35' - _id: '15' doi: 10.1021/acs.jpcc.3c07513 intvolume: ' 128' issue: '8' keyword: - Surfaces - Coatings and Films - Physical and Theoretical Chemistry - General Energy - Electronic - Optical and Magnetic Materials language: - iso: eng page: 3525-3532 publication: The Journal of Physical Chemistry C publication_identifier: issn: - 1932-7447 - 1932-7455 publication_status: published publisher: American Chemical Society (ACS) status: public title: Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers type: journal_article user_id: '61389' volume: 128 year: '2024' ... --- _id: '51093' abstract: - lang: eng text: Dynamics-induced interchain charge transfer in a polymer aggregate in stack configuration can be understood by single-oligomer polaron energy. author: - first_name: Fabian full_name: Bauch, Fabian id: '61389' last_name: Bauch orcid: 0009-0008-6279-077X - first_name: Chuan-Ding full_name: Dong, Chuan-Ding id: '67188' last_name: Dong - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Bauch F, Dong C-D, Schumacher S. Dynamics-induced charge transfer in semiconducting conjugated polymers. Journal of Materials Chemistry C. 2023;11(38):12992-12998. doi:10.1039/d3tc02263c apa: Bauch, F., Dong, C.-D., & Schumacher, S. (2023). Dynamics-induced charge transfer in semiconducting conjugated polymers. Journal of Materials Chemistry C, 11(38), 12992–12998. https://doi.org/10.1039/d3tc02263c bibtex: '@article{Bauch_Dong_Schumacher_2023, title={Dynamics-induced charge transfer in semiconducting conjugated polymers}, volume={11}, DOI={10.1039/d3tc02263c}, number={38}, journal={Journal of Materials Chemistry C}, publisher={Royal Society of Chemistry (RSC)}, author={Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}, year={2023}, pages={12992–12998} }' chicago: 'Bauch, Fabian, Chuan-Ding Dong, and Stefan Schumacher. “Dynamics-Induced Charge Transfer in Semiconducting Conjugated Polymers.” Journal of Materials Chemistry C 11, no. 38 (2023): 12992–98. https://doi.org/10.1039/d3tc02263c.' ieee: 'F. Bauch, C.-D. Dong, and S. Schumacher, “Dynamics-induced charge transfer in semiconducting conjugated polymers,” Journal of Materials Chemistry C, vol. 11, no. 38, pp. 12992–12998, 2023, doi: 10.1039/d3tc02263c.' mla: Bauch, Fabian, et al. “Dynamics-Induced Charge Transfer in Semiconducting Conjugated Polymers.” Journal of Materials Chemistry C, vol. 11, no. 38, Royal Society of Chemistry (RSC), 2023, pp. 12992–98, doi:10.1039/d3tc02263c. short: F. Bauch, C.-D. Dong, S. Schumacher, Journal of Materials Chemistry C 11 (2023) 12992–12998. date_created: 2024-01-31T12:07:22Z date_updated: 2024-02-07T14:36:09Z doi: 10.1039/d3tc02263c intvolume: ' 11' issue: '38' keyword: - Materials Chemistry - General Chemistry language: - iso: eng page: 12992-12998 publication: Journal of Materials Chemistry C publication_identifier: issn: - 2050-7526 - 2050-7534 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: Dynamics-induced charge transfer in semiconducting conjugated polymers type: journal_article user_id: '61389' volume: 11 year: '2023' ... --- _id: '51092' abstract: - lang: eng text: Lewis-acid doping of organic semiconductors (OSCs) opens up new ways of p-type doping and has recently become of significant interest. author: - first_name: Fabian full_name: Bauch, Fabian id: '61389' last_name: Bauch orcid: 0009-0008-6279-077X - first_name: Chuan-Ding full_name: Dong, Chuan-Ding id: '67188' last_name: Dong - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Bauch F, Dong C-D, Schumacher S. Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids. RSC Advances. 2022;12(22):13999-14006. doi:10.1039/d2ra02032g apa: Bauch, F., Dong, C.-D., & Schumacher, S. (2022). Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids. RSC Advances, 12(22), 13999–14006. https://doi.org/10.1039/d2ra02032g bibtex: '@article{Bauch_Dong_Schumacher_2022, title={Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids}, volume={12}, DOI={10.1039/d2ra02032g}, number={22}, journal={RSC Advances}, publisher={Royal Society of Chemistry (RSC)}, author={Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}, year={2022}, pages={13999–14006} }' chicago: 'Bauch, Fabian, Chuan-Ding Dong, and Stefan Schumacher. “Protonation-Induced Charge Transfer and Polaron Formation in Organic Semiconductors Doped by Lewis Acids.” RSC Advances 12, no. 22 (2022): 13999–6. https://doi.org/10.1039/d2ra02032g.' ieee: 'F. Bauch, C.-D. Dong, and S. Schumacher, “Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids,” RSC Advances, vol. 12, no. 22, pp. 13999–14006, 2022, doi: 10.1039/d2ra02032g.' mla: Bauch, Fabian, et al. “Protonation-Induced Charge Transfer and Polaron Formation in Organic Semiconductors Doped by Lewis Acids.” RSC Advances, vol. 12, no. 22, Royal Society of Chemistry (RSC), 2022, pp. 13999–4006, doi:10.1039/d2ra02032g. short: F. Bauch, C.-D. Dong, S. Schumacher, RSC Advances 12 (2022) 13999–14006. date_created: 2024-01-31T12:06:37Z date_updated: 2024-02-07T14:36:02Z doi: 10.1039/d2ra02032g intvolume: ' 12' issue: '22' keyword: - General Chemical Engineering - General Chemistry language: - iso: eng page: 13999-14006 publication: RSC Advances publication_identifier: issn: - 2046-2069 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids type: journal_article user_id: '61389' volume: 12 year: '2022' ... --- _id: '40423' abstract: - lang: eng text: Lewis-acid doping of organic semiconductors (OSCs) opens up new ways of p-type doping and has recently become of significant interest. author: - first_name: Fabian full_name: Bauch, Fabian last_name: Bauch - first_name: Chuan-Ding full_name: Dong, Chuan-Ding id: '67188' last_name: Dong - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Bauch F, Dong C-D, Schumacher S. Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids. RSC Advances. 2022;12(22):13999-14006. doi:10.1039/d2ra02032g apa: Bauch, F., Dong, C.-D., & Schumacher, S. (2022). Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids. RSC Advances, 12(22), 13999–14006. https://doi.org/10.1039/d2ra02032g bibtex: '@article{Bauch_Dong_Schumacher_2022, title={Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids}, volume={12}, DOI={10.1039/d2ra02032g}, number={22}, journal={RSC Advances}, publisher={Royal Society of Chemistry (RSC)}, author={Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}, year={2022}, pages={13999–14006} }' chicago: 'Bauch, Fabian, Chuan-Ding Dong, and Stefan Schumacher. “Protonation-Induced Charge Transfer and Polaron Formation in Organic Semiconductors Doped by Lewis Acids.” RSC Advances 12, no. 22 (2022): 13999–6. https://doi.org/10.1039/d2ra02032g.' ieee: 'F. Bauch, C.-D. Dong, and S. Schumacher, “Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids,” RSC Advances, vol. 12, no. 22, pp. 13999–14006, 2022, doi: 10.1039/d2ra02032g.' mla: Bauch, Fabian, et al. “Protonation-Induced Charge Transfer and Polaron Formation in Organic Semiconductors Doped by Lewis Acids.” RSC Advances, vol. 12, no. 22, Royal Society of Chemistry (RSC), 2022, pp. 13999–4006, doi:10.1039/d2ra02032g. short: F. Bauch, C.-D. Dong, S. Schumacher, RSC Advances 12 (2022) 13999–14006. date_created: 2023-01-26T15:27:12Z date_updated: 2023-04-20T15:21:09Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' doi: 10.1039/d2ra02032g intvolume: ' 12' issue: '22' keyword: - General Chemical Engineering - General Chemistry language: - iso: eng page: 13999-14006 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: RSC Advances publication_identifier: issn: - 2046-2069 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids type: journal_article user_id: '16199' volume: 12 year: '2022' ... --- _id: '40425' author: - first_name: Thomas full_name: Bathe, Thomas last_name: Bathe - first_name: Chuan-Ding full_name: Dong, Chuan-Ding id: '67188' last_name: Dong - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Bathe T, Dong C-D, Schumacher S. Microscopic Study of Molecular Double Doping. The Journal of Physical Chemistry A. 2022;126(13):2075-2081. doi:10.1021/acs.jpca.1c09179 apa: Bathe, T., Dong, C.-D., & Schumacher, S. (2022). Microscopic Study of Molecular Double Doping. The Journal of Physical Chemistry A, 126(13), 2075–2081. https://doi.org/10.1021/acs.jpca.1c09179 bibtex: '@article{Bathe_Dong_Schumacher_2022, title={Microscopic Study of Molecular Double Doping}, volume={126}, DOI={10.1021/acs.jpca.1c09179}, number={13}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Bathe, Thomas and Dong, Chuan-Ding and Schumacher, Stefan}, year={2022}, pages={2075–2081} }' chicago: 'Bathe, Thomas, Chuan-Ding Dong, and Stefan Schumacher. “Microscopic Study of Molecular Double Doping.” The Journal of Physical Chemistry A 126, no. 13 (2022): 2075–81. https://doi.org/10.1021/acs.jpca.1c09179.' ieee: 'T. Bathe, C.-D. Dong, and S. Schumacher, “Microscopic Study of Molecular Double Doping,” The Journal of Physical Chemistry A, vol. 126, no. 13, pp. 2075–2081, 2022, doi: 10.1021/acs.jpca.1c09179.' mla: Bathe, Thomas, et al. “Microscopic Study of Molecular Double Doping.” The Journal of Physical Chemistry A, vol. 126, no. 13, American Chemical Society (ACS), 2022, pp. 2075–81, doi:10.1021/acs.jpca.1c09179. short: T. Bathe, C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry A 126 (2022) 2075–2081. date_created: 2023-01-26T15:31:50Z date_updated: 2023-04-20T15:21:26Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' doi: 10.1021/acs.jpca.1c09179 intvolume: ' 126' issue: '13' keyword: - Physical and Theoretical Chemistry language: - iso: eng page: 2075-2081 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: The Journal of Physical Chemistry A publication_identifier: issn: - 1089-5639 - 1520-5215 publication_status: published publisher: American Chemical Society (ACS) status: public title: Microscopic Study of Molecular Double Doping type: journal_article user_id: '16199' volume: 126 year: '2022' ... --- _id: '40434' article_number: '2100518' author: - first_name: Philip full_name: Klement, Philip last_name: Klement - first_name: Natalie full_name: Dehnhardt, Natalie last_name: Dehnhardt - first_name: Chuan-Ding full_name: Dong, Chuan-Ding id: '67188' last_name: Dong - first_name: Florian full_name: Dobener, Florian last_name: Dobener - first_name: Samuel full_name: Bayliff, Samuel last_name: Bayliff - first_name: Julius full_name: Winkler, Julius last_name: Winkler - first_name: Detlev M. full_name: Hofmann, Detlev M. last_name: Hofmann - first_name: Peter J. full_name: Klar, Peter J. last_name: Klar - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 - first_name: Sangam full_name: Chatterjee, Sangam last_name: Chatterjee - first_name: Johanna full_name: Heine, Johanna last_name: Heine citation: ama: Klement P, Dehnhardt N, Dong C-D, et al. Atomically Thin Sheets of Lead‐Free 1D Hybrid Perovskites Feature Tunable White‐Light Emission from Self‐Trapped Excitons. Advanced Materials. 2021;33(23). doi:10.1002/adma.202100518 apa: Klement, P., Dehnhardt, N., Dong, C.-D., Dobener, F., Bayliff, S., Winkler, J., Hofmann, D. M., Klar, P. J., Schumacher, S., Chatterjee, S., & Heine, J. (2021). Atomically Thin Sheets of Lead‐Free 1D Hybrid Perovskites Feature Tunable White‐Light Emission from Self‐Trapped Excitons. Advanced Materials, 33(23), Article 2100518. https://doi.org/10.1002/adma.202100518 bibtex: '@article{Klement_Dehnhardt_Dong_Dobener_Bayliff_Winkler_Hofmann_Klar_Schumacher_Chatterjee_et al._2021, title={Atomically Thin Sheets of Lead‐Free 1D Hybrid Perovskites Feature Tunable White‐Light Emission from Self‐Trapped Excitons}, volume={33}, DOI={10.1002/adma.202100518}, number={232100518}, journal={Advanced Materials}, publisher={Wiley}, author={Klement, Philip and Dehnhardt, Natalie and Dong, Chuan-Ding and Dobener, Florian and Bayliff, Samuel and Winkler, Julius and Hofmann, Detlev M. and Klar, Peter J. and Schumacher, Stefan and Chatterjee, Sangam and et al.}, year={2021} }' chicago: Klement, Philip, Natalie Dehnhardt, Chuan-Ding Dong, Florian Dobener, Samuel Bayliff, Julius Winkler, Detlev M. Hofmann, et al. “Atomically Thin Sheets of Lead‐Free 1D Hybrid Perovskites Feature Tunable White‐Light Emission from Self‐Trapped Excitons.” Advanced Materials 33, no. 23 (2021). https://doi.org/10.1002/adma.202100518. ieee: 'P. Klement et al., “Atomically Thin Sheets of Lead‐Free 1D Hybrid Perovskites Feature Tunable White‐Light Emission from Self‐Trapped Excitons,” Advanced Materials, vol. 33, no. 23, Art. no. 2100518, 2021, doi: 10.1002/adma.202100518.' mla: Klement, Philip, et al. “Atomically Thin Sheets of Lead‐Free 1D Hybrid Perovskites Feature Tunable White‐Light Emission from Self‐Trapped Excitons.” Advanced Materials, vol. 33, no. 23, 2100518, Wiley, 2021, doi:10.1002/adma.202100518. short: P. Klement, N. Dehnhardt, C.-D. Dong, F. Dobener, S. Bayliff, J. Winkler, D.M. Hofmann, P.J. Klar, S. Schumacher, S. Chatterjee, J. Heine, Advanced Materials 33 (2021). date_created: 2023-01-26T15:51:03Z date_updated: 2023-04-20T15:33:14Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' doi: 10.1002/adma.202100518 intvolume: ' 33' issue: '23' keyword: - Mechanical Engineering - Mechanics of Materials - General Materials Science language: - iso: eng project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Advanced Materials publication_identifier: issn: - 0935-9648 - 1521-4095 publication_status: published publisher: Wiley status: public title: Atomically Thin Sheets of Lead‐Free 1D Hybrid Perovskites Feature Tunable White‐Light Emission from Self‐Trapped Excitons type: journal_article user_id: '16199' volume: 33 year: '2021' ... --- _id: '40433' author: - first_name: Chuan-Ding full_name: Dong, Chuan-Ding id: '67188' last_name: Dong - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Dong C-D, Schumacher S. Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors. The Journal of Physical Chemistry C. 2021;125(40):21824-21830. doi:10.1021/acs.jpcc.1c05666 apa: Dong, C.-D., & Schumacher, S. (2021). Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors. The Journal of Physical Chemistry C, 125(40), 21824–21830. https://doi.org/10.1021/acs.jpcc.1c05666 bibtex: '@article{Dong_Schumacher_2021, title={Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors}, volume={125}, DOI={10.1021/acs.jpcc.1c05666}, number={40}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Dong, Chuan-Ding and Schumacher, Stefan}, year={2021}, pages={21824–21830} }' chicago: 'Dong, Chuan-Ding, and Stefan Schumacher. “Microscopic Insights into Charge Formation and Energetics in N-Doped Organic Semiconductors.” The Journal of Physical Chemistry C 125, no. 40 (2021): 21824–30. https://doi.org/10.1021/acs.jpcc.1c05666.' ieee: 'C.-D. Dong and S. Schumacher, “Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors,” The Journal of Physical Chemistry C, vol. 125, no. 40, pp. 21824–21830, 2021, doi: 10.1021/acs.jpcc.1c05666.' mla: Dong, Chuan-Ding, and Stefan Schumacher. “Microscopic Insights into Charge Formation and Energetics in N-Doped Organic Semiconductors.” The Journal of Physical Chemistry C, vol. 125, no. 40, American Chemical Society (ACS), 2021, pp. 21824–30, doi:10.1021/acs.jpcc.1c05666. short: C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C 125 (2021) 21824–21830. date_created: 2023-01-26T15:49:13Z date_updated: 2025-12-16T11:17:39Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' - _id: '27' doi: 10.1021/acs.jpcc.1c05666 intvolume: ' 125' issue: '40' keyword: - Surfaces - Coatings and Films - Physical and Theoretical Chemistry - General Energy - Electronic - Optical and Magnetic Materials language: - iso: eng page: 21824-21830 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: The Journal of Physical Chemistry C publication_identifier: issn: - 1932-7447 - 1932-7455 publication_status: published publisher: American Chemical Society (ACS) status: public title: Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors type: journal_article user_id: '16199' volume: 125 year: '2021' ... --- _id: '40435' abstract: - lang: eng text:

Coulomb binding energy is reduced when a few-molecule integer charge transfer complex (ICTC) is formed.

author: - first_name: Chuan-Ding full_name: Dong, Chuan-Ding id: '67188' last_name: Dong - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Dong C-D, Schumacher S. Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding. Journal of Materials Chemistry C. 2020;8(34):11929-11935. doi:10.1039/d0tc02185g apa: Dong, C.-D., & Schumacher, S. (2020). Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding. Journal of Materials Chemistry C, 8(34), 11929–11935. https://doi.org/10.1039/d0tc02185g bibtex: '@article{Dong_Schumacher_2020, title={Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding}, volume={8}, DOI={10.1039/d0tc02185g}, number={34}, journal={Journal of Materials Chemistry C}, publisher={Royal Society of Chemistry (RSC)}, author={Dong, Chuan-Ding and Schumacher, Stefan}, year={2020}, pages={11929–11935} }' chicago: 'Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping in Few-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding.” Journal of Materials Chemistry C 8, no. 34 (2020): 11929–35. https://doi.org/10.1039/d0tc02185g.' ieee: 'C.-D. Dong and S. Schumacher, “Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding,” Journal of Materials Chemistry C, vol. 8, no. 34, pp. 11929–11935, 2020, doi: 10.1039/d0tc02185g.' mla: Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping in Few-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding.” Journal of Materials Chemistry C, vol. 8, no. 34, Royal Society of Chemistry (RSC), 2020, pp. 11929–35, doi:10.1039/d0tc02185g. short: C.-D. Dong, S. Schumacher, Journal of Materials Chemistry C 8 (2020) 11929–11935. date_created: 2023-01-26T16:01:22Z date_updated: 2023-04-20T15:39:34Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' doi: 10.1039/d0tc02185g intvolume: ' 8' issue: '34' keyword: - Materials Chemistry - General Chemistry language: - iso: eng page: 11929-11935 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Journal of Materials Chemistry C publication_identifier: issn: - 2050-7526 - 2050-7534 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding type: journal_article user_id: '16199' volume: 8 year: '2020' ... --- _id: '13347' abstract: - lang: eng text: "<div>\r\n\t\t\t<div>\r\n\t\t\t\t<div>\r\n\t\t\t\t\t<p>Molecular doping in conjugated polymers is a crucial process for their application in organic\r\nphotovoltaics and optoelectronics. In the present work we theoretically investigate p-type molecu-\r\nlar doping in a series of (poly[2,6-(4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b;3,4-b”]dithiophene)-alt-\r\n4,7-(2,1,3-benzothiadiazole)] (PCPDT-BT) conjugated oligomers with different lengths and three\r\nwidely-used dopants with different electron affinities, namely F4TCNQ, F6TCNNQ, and CN6-CP.\r\nWe study in detail the molecular geometry of possible oligomer-dopant complexes and its influence\r\non the doping mechanisms and electronic system properties. We find that the mechanisms of dop-\r\ning and charge transfer observed sensitively depend on the specific geometry of the oligomer-dopant\r\ncomplexes. For a given complex different geometries may exist, some of which show transfer of\r\nan entire electron from the oligomer chain onto the dopant molecule resulting in an integer-charge\r\ntransfer complex, leaving the system in a ground state with broken spin symmetry. In other ge-\r\nometries merely hybridization of oligomer and dopant frontier orbitals occurs with partial charge\r\ntransfer but spin-symmetric ground state. Considering the resulting electronic density of states both\r\ncases may well contribute to an increased electrical conductivity of corresponding film samples while\r\nthe underlying physical mechanisms are entirely different.\r\n</p>\r\n\t\t\t\t</div>\r\n\t\t\t</div>\r\n\t\t</div>" author: - first_name: Chuan-Ding full_name: Dong, Chuan-Ding id: '67188' last_name: Dong - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: 'Dong C-D, Schumacher S. Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer. Published online 2019.' apa: 'Dong, C.-D., & Schumacher, S. (2019). Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer.' bibtex: '@article{Dong_Schumacher_2019, title={Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer}, author={Dong, Chuan-Ding and Schumacher, Stefan}, year={2019} }' chicago: 'Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer,” 2019.' ieee: 'C.-D. Dong and S. Schumacher, “Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer.” 2019.' mla: 'Dong, Chuan-Ding, and Stefan Schumacher. Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer. 2019.' short: C.-D. Dong, S. Schumacher, (2019). date_created: 2019-09-19T13:44:34Z date_updated: 2025-12-05T14:31:11Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' - _id: '27' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication_status: published status: public title: 'Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer' type: preprint user_id: '16199' year: '2019' ...