@article{51221,
  abstract     = {{<jats:p>Charge transfer mechanism in the deprotonation-induced n-type doping of PCBM.</jats:p>}},
  author       = {{Dong, Chuan-Ding and Bauch, Fabian and Hu, Yuanyuan and Schumacher, Stefan}},
  issn         = {{1463-9076}},
  journal      = {{Physical Chemistry Chemical Physics}},
  keywords     = {{Physical and Theoretical Chemistry, General Physics and Astronomy}},
  number       = {{5}},
  pages        = {{4194--4199}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{Charge transfer in superbase n-type doping of PCBM induced by deprotonation}}},
  doi          = {{10.1039/d3cp05105f}},
  volume       = {{26}},
  year         = {{2024}},
}

@article{52534,
  author       = {{Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}},
  issn         = {{1932-7447}},
  journal      = {{The Journal of Physical Chemistry C}},
  keywords     = {{Surfaces, Coatings and Films, Physical and Theoretical Chemistry, General Energy, Electronic, Optical and Magnetic Materials}},
  number       = {{8}},
  pages        = {{3525--3532}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers}}},
  doi          = {{10.1021/acs.jpcc.3c07513}},
  volume       = {{128}},
  year         = {{2024}},
}

@article{51093,
  abstract     = {{<jats:p>Dynamics-induced interchain charge transfer in a polymer aggregate in stack configuration can be understood by single-oligomer polaron energy.</jats:p>}},
  author       = {{Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}},
  issn         = {{2050-7526}},
  journal      = {{Journal of Materials Chemistry C}},
  keywords     = {{Materials Chemistry, General Chemistry}},
  number       = {{38}},
  pages        = {{12992--12998}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{Dynamics-induced charge transfer in semiconducting conjugated polymers}}},
  doi          = {{10.1039/d3tc02263c}},
  volume       = {{11}},
  year         = {{2023}},
}

@article{51092,
  abstract     = {{<jats:p>Lewis-acid doping of organic semiconductors (OSCs) opens up new ways of p-type doping and has recently become of significant interest.</jats:p>}},
  author       = {{Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}},
  issn         = {{2046-2069}},
  journal      = {{RSC Advances}},
  keywords     = {{General Chemical Engineering, General Chemistry}},
  number       = {{22}},
  pages        = {{13999--14006}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids}}},
  doi          = {{10.1039/d2ra02032g}},
  volume       = {{12}},
  year         = {{2022}},
}

@article{40423,
  abstract     = {{<jats:p>Lewis-acid doping of organic semiconductors (OSCs) opens up new ways of p-type doping and has recently become of significant interest.</jats:p>}},
  author       = {{Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}},
  issn         = {{2046-2069}},
  journal      = {{RSC Advances}},
  keywords     = {{General Chemical Engineering, General Chemistry}},
  number       = {{22}},
  pages        = {{13999--14006}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids}}},
  doi          = {{10.1039/d2ra02032g}},
  volume       = {{12}},
  year         = {{2022}},
}

@article{40425,
  author       = {{Bathe, Thomas and Dong, Chuan-Ding and Schumacher, Stefan}},
  issn         = {{1089-5639}},
  journal      = {{The Journal of Physical Chemistry A}},
  keywords     = {{Physical and Theoretical Chemistry}},
  number       = {{13}},
  pages        = {{2075--2081}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Microscopic Study of Molecular Double Doping}}},
  doi          = {{10.1021/acs.jpca.1c09179}},
  volume       = {{126}},
  year         = {{2022}},
}

@article{40434,
  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 Heine, Johanna}},
  issn         = {{0935-9648}},
  journal      = {{Advanced Materials}},
  keywords     = {{Mechanical Engineering, Mechanics of Materials, General Materials Science}},
  number       = {{23}},
  publisher    = {{Wiley}},
  title        = {{{Atomically Thin Sheets of Lead‐Free 1D Hybrid Perovskites Feature Tunable White‐Light Emission from Self‐Trapped Excitons}}},
  doi          = {{10.1002/adma.202100518}},
  volume       = {{33}},
  year         = {{2021}},
}

@article{40433,
  author       = {{Dong, Chuan-Ding and Schumacher, Stefan}},
  issn         = {{1932-7447}},
  journal      = {{The Journal of Physical Chemistry C}},
  keywords     = {{Surfaces, Coatings and Films, Physical and Theoretical Chemistry, General Energy, Electronic, Optical and Magnetic Materials}},
  number       = {{40}},
  pages        = {{21824--21830}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors}}},
  doi          = {{10.1021/acs.jpcc.1c05666}},
  volume       = {{125}},
  year         = {{2021}},
}

@article{40435,
  abstract     = {{<p>Coulomb binding energy is reduced when a few-molecule integer charge transfer complex (ICTC) is formed.</p>}},
  author       = {{Dong, Chuan-Ding and Schumacher, Stefan}},
  issn         = {{2050-7526}},
  journal      = {{Journal of Materials Chemistry C}},
  keywords     = {{Materials Chemistry, General Chemistry}},
  number       = {{34}},
  pages        = {{11929--11935}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding}}},
  doi          = {{10.1039/d0tc02185g}},
  volume       = {{8}},
  year         = {{2020}},
}

@unpublished{13347,
  abstract     = {{<jats:p>&lt;div&gt;
			&lt;div&gt;
				&lt;div&gt;
					&lt;p&gt;Molecular doping in conjugated polymers is a crucial process for their application in organic
photovoltaics and optoelectronics. In the present work we theoretically investigate p-type molecu-
lar doping in a series of (poly[2,6-(4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b;3,4-b”]dithiophene)-alt-
4,7-(2,1,3-benzothiadiazole)] (PCPDT-BT) conjugated oligomers with different lengths and three
widely-used dopants with different electron affinities, namely F4TCNQ, F6TCNNQ, and CN6-CP.
We study in detail the molecular geometry of possible oligomer-dopant complexes and its influence
on the doping mechanisms and electronic system properties. We find that the mechanisms of dop-
ing and charge transfer observed sensitively depend on the specific geometry of the oligomer-dopant
complexes. For a given complex different geometries may exist, some of which show transfer of
an entire electron from the oligomer chain onto the dopant molecule resulting in an integer-charge
transfer complex, leaving the system in a ground state with broken spin symmetry. In other ge-
ometries merely hybridization of oligomer and dopant frontier orbitals occurs with partial charge
transfer but spin-symmetric ground state. Considering the resulting electronic density of states both
cases may well contribute to an increased electrical conductivity of corresponding film samples while
the underlying physical mechanisms are entirely different.
&lt;/p&gt;
				&lt;/div&gt;
			&lt;/div&gt;
		&lt;/div&gt;</jats:p>}},
  author       = {{Dong, Chuan-Ding and Schumacher, Stefan}},
  title        = {{{Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer}}},
  year         = {{2019}},
}