scholarly journals P-type molecular doping by charge transfer in halide perovskite

2021 ◽  
Author(s):  
Julie Euvrard ◽  
Gunawan Oki ◽  
Xinjue Zhong ◽  
Steven P. Harvey ◽  
Antoine Kahn ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Significant Control ◽  
Molecular Doping ◽  
Halide Perovskite ◽  
P Type ◽  
Electronic Technologies

Electronic technologies critically rely on the ability to broadly dope the active semiconductor; yet the promising class of halide perovskite semiconductors so far does not allow for significant control over...

scholarly journals Switching charge-transfer characteristics from p-type to n-type through molecular “doping” (co-crystallization)

2016 ◽  
Vol 7 (6) ◽  
pp. 3851-3856 ◽  
Author(s):  
Jing Zhang ◽  
Peiyang Gu ◽  
Guankui Long ◽  
Rakesh Ganguly ◽  
Yongxin Li ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Type Compound ◽  
Transfer Characteristics ◽  
Type Semiconductor ◽  
Molecular Doping ◽  
P Type

A novel molecule, DTPTP, which originally is a p-type compound, can be switched to an n-type semiconductor through tetracyanoquinodimethane doping (co-crystallization).

scholarly journals Molecular Doping in Multi-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding

2020 ◽  
Author(s):  
Chuanding Dong ◽  
Stefan Schumacher
Keyword(s):  
Charge Transfer ◽  
Organic Semiconductors ◽  
Positive Charge ◽  
Charge Carriers ◽  
Mechanistic Study ◽  
Charge Transfer Complexes ◽  
Mobile Charge ◽  
Molecular Doping ◽  
Gap States ◽  
P Type

<p>The mechanistic study of molecular doping of organic semiconductors (OSC) requires</p><p>an improved understanding of the role and formation of integer charge transfer complexes</p><p>(ICTC) on a microscopic level. In the present work we go one crucial step beyond</p><p>the simplest scenario of an isolated bi-molecular ICTC and study ICTCs formed of</p><p>up to two (poly[2,6-(4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b,3,4-b”]dithiophene)-alt-4,7-(2,1,3-</p><p>benzothiadiazole)](PCPDT-BT) oligomers and up to two CN6-CP molecules. We find that depending</p><p>on geometric arrangement, complexes containing two conjugated oligomers and two</p><p>dopant molecules can show p-type doping with double integer charge transfer, resulting in either</p><p>two singly doped oligomers or one doubly doped oligomer. Interestingly, compared to an individual</p><p>oligomer-dopant complex, the resulting in-gap states on the doped oligomers are significantly</p><p>lowered in energy. Indicating that, already in the relatively small systems studied here, Coulomb</p><p>binding of the doping-induced positive charge to the counter-ion is reduced which is an elemental</p><p>step towards generating mobile charge carriers through molecular doping.</p>

scholarly journals Microscopic picture of molecular double doping

2021 ◽  
Author(s):  
Thomas Bathe ◽  
Chuan-Ding Dong ◽  
Stefan Schumacher
Keyword(s):  
Absorption Spectrum ◽  
Charge Transfer ◽  
Density Functional ◽  
Near Infrared ◽  
Infrared Absorption Spectrum ◽  
Functional Theory ◽  
Double Doping ◽  
Molecular Doping ◽  
P Type ◽  
Dopant Molecule

Double doping, in which a single dopant molecule induces two charge carriers in an organic semiconductor (OSC), was recently experimentally observed and promises to enhance the efficiency of molecular doping. Here we present a theoretical investigation of p-type molecular double doping in a CN6-CP:bithiophene–thienothiophene OSC system. Our analysis is based on density functional theory (DFT) calculations for the electronic ground state. In a molecular complex with two OSC oligomers and one CN6-CP dopant molecule we explicitly demonstrate double integer charge transfer and find formation of two individual polarons on the OSC molecules and a di-anion dopant molecule. We show that the vibrational modes and related infrared absorption spectrum of this complex can be traced back to those of the charged dopant and OSC molecules in their isolated forms. The near-infrared optical absorption spectrum calculated by time-dependent DFT shows both features of typical intra-molecular polaron excitations and weak inter-molecular charge transfer excitations associated with the doping-induced polaron states.

scholarly journals Molecular Doping in Multi-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding

2020 ◽  
Author(s):  
Chuanding Dong ◽  
Stefan Schumacher
Keyword(s):  
Charge Transfer ◽  
Organic Semiconductors ◽  
Positive Charge ◽  
Charge Carriers ◽  
Mechanistic Study ◽  
Charge Transfer Complexes ◽  
Mobile Charge ◽  
Molecular Doping ◽  
Gap States ◽  
P Type

<p>The mechanistic study of molecular doping of organic semiconductors (OSC) requires</p><p>an improved understanding of the role and formation of integer charge transfer complexes</p><p>(ICTC) on a microscopic level. In the present work we go one crucial step beyond</p><p>the simplest scenario of an isolated bi-molecular ICTC and study ICTCs formed of</p><p>up to two (poly[2,6-(4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b,3,4-b”]dithiophene)-alt-4,7-(2,1,3-</p><p>benzothiadiazole)](PCPDT-BT) oligomers and up to two CN6-CP molecules. We find that depending</p><p>on geometric arrangement, complexes containing two conjugated oligomers and two</p><p>dopant molecules can show p-type doping with double integer charge transfer, resulting in either</p><p>two singly doped oligomers or one doubly doped oligomer. Interestingly, compared to an individual</p><p>oligomer-dopant complex, the resulting in-gap states on the doped oligomers are significantly</p><p>lowered in energy. Indicating that, already in the relatively small systems studied here, Coulomb</p><p>binding of the doping-induced positive charge to the counter-ion is reduced which is an elemental</p><p>step towards generating mobile charge carriers through molecular doping.</p>

Tuning the Carrier Type and Density of Monolayer Tin Selenide via Organic Molecular Doping

2021 ◽  
Author(s):  
Yu Jie Zheng ◽  
Qi Zhang ◽  
Omololu Odunmbaku ◽  
Zeping Ou ◽  
Meng Li ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Organic Molecules ◽  
Single Layer ◽  
Conduction Band Edge ◽  
Shallow Acceptor ◽  
Tin Selenide ◽  
Lowest Unoccupied Molecular Orbital ◽  
Molecular Doping ◽  
P Type ◽  
Highest Occupied Molecular Orbitals

Abstract Utilizing first-principles calculations, charge transfer doping process of single layer tin selenide (SL-SnSe) via the surface adsorption of various organic molecules was investigated. Effective p-type SnSe, with carrier concentration exceeding 3.59×1013 cm-2, was obtained upon adsorption of tetracyanoquinodimethane (TCNQ) or 2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-quinodimethane (F4TCNQ) on SL-SnSe due to their lowest unoccupied molecular orbital (LUMO) acting as shallow acceptor states. While we could not obtain effective n-type SnSe through adsorption of tetrathiafulvalene (TTF) or 1,4,5,8-tetrathianaphthalene (TTN) on pristine SnSe due to their highest occupied molecular orbitals (HOMO) being far from the conduction band edge of SnSe, this disadvantageous situation can be amended by the introduction of an external electric field perpendicular to the monolayer surface. It is found that Snvac will facilitate charge transfer from TTF to SnSe through introducing an unoccupied gap state just above the HOMO of TTF, thereby partially compensating for the p-type doping effect of Snvac. Our results show that both effective p-type and n-type SnSe can be obtained and tuned by charge transfer doping, which is necessary to promote its applications in nanoelectronics, thermoelectrics and optoelectronics.

Nonchemical n- and p-Type Charge Transfer Doping of FAPbI3 Perovskite

2021 ◽  
pp. 2817-2824
Author(s):  
Chunqing Ma ◽  
Bosung Kim ◽  
Dong-Ho Kang ◽  
Sang-Woo Kim ◽  
Nam-Gyu Park
Keyword(s):  
Charge Transfer ◽  
P Type

p ‐Type Charge Transfer Doping of Graphene Oxide with (NiCo) 1− y Fe y O x for Air‐Stable, All‐Inorganic CsPbIBr 2 Perovskite Solar Cells

2021 ◽  
Vol 60 (19) ◽  
pp. 10608-10613
Author(s):  
Jian Du ◽  
Jialong Duan ◽  
Xiya Yang ◽  
Yanyan Duan ◽  
Quanzhu Zhou ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Solar Cells ◽  
Charge Transfer ◽  
Perovskite Solar Cells ◽  
P Type

p-type conductivity in silicon nanowires induced by heterojunction interface charge transfer

2010 ◽  
Vol 97 (15) ◽  
pp. 153126 ◽  
Author(s):  
G. D. Yuan ◽  
T. W. Ng ◽  
Y. B. Zhou ◽  
F. Wang ◽  
W. J. Zhang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Silicon Nanowires ◽  
Type Conductivity ◽  
Interface Charge ◽  
P Type ◽  
Interface Charge Transfer

Surface charge transfer induced p-CdS nanoribbon/n-Si heterojunctions as fast-speed self-driven photodetectors

2015 ◽  
Vol 3 (24) ◽  
pp. 6307-6313 ◽  
Author(s):  
Chao Xie ◽  
Fangze Li ◽  
Longhui Zeng ◽  
Linbao Luo ◽  
Li Wang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Surface Charge ◽  
Fast Speed ◽  
Type Silicon ◽  
P Type

Heterojunctions composed of single p-type CdS nanoribbons (NRs) and n-type silicon (Si) were successfully fabricated and can be applied as fast-speed self-driven visible photodetectors.

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