Topology-Mediated Enhanced Polaron Coherence in Covalent Organic Frameworks

Ghosh, Raja; Paesani, Francesco

doi:10.1021/acs.jpclett.1c02454

Topology-Mediated Enhanced Polaron Coherence in Covalent Organic Frameworks

Journal Article · 23 September 2021 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/acs.jpclett.1c02454· OSTI ID:1981920

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Department of Chemistry and Biochemistry, ‡Materials Science and Engineering, and §San Diego Supercomputer Center, University of California, San Diego, La Jolla, California 92093, United States

Not provided.

Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC02-05CH11231

OSTI ID:: 1981920

Journal Information:: Journal of Physical Chemistry Letters, Vol. 12, Issue 39; ISSN 1948-7185

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

References (60)

A two-dimensional conjugated polymer framework with fully sp ² -bonded carbon skeleton Zhuang, Xiaodong; Zhao, Wuxue; Zhang, Fan Polymer Chemistry, Vol. 7, Issue 25 https://doi.org/10.1039/C6PY00561F	journal	January 2016
Two-dimensional sp ² carbon–conjugated covalent organic frameworks Jin, Enquan; Asada, Mizue; Xu, Qing Science, Vol. 357, Issue 6352 https://doi.org/10.1126/science.aan0202	journal	August 2017
Designed synthesis of stable light-emitting two-dimensional sp2 carbon-conjugated covalent organic frameworks Jin, Enquan; Li, Juan; Geng, Keyu Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-06719-8	journal	October 2018
Topology‐Templated Synthesis of Crystalline Porous Covalent Organic Frameworks Jin, Enquan; Geng, Keyu; Lee, Ka Hung Angewandte Chemie, Vol. 132, Issue 29 https://doi.org/10.1002/ange.202004728	journal	May 2020
A Nitrogen‐Rich 2D sp ² ‐Carbon‐Linked Conjugated Polymer Framework as a High‐Performance Cathode for Lithium‐Ion Batteries Xu, Shunqi; Wang, Gang; Biswal, Bishnu P. Angewandte Chemie https://doi.org/10.1002/ange.201812685	journal	December 2018
Designed Synthesis of a 2D Porphyrin‐Based sp ² Carbon‐Conjugated Covalent Organic Framework for Heterogeneous Photocatalysis Chen, Rufan; Shi, Ji‐Long; Ma, Yuan Angewandte Chemie International Edition, Vol. 58, Issue 19 https://doi.org/10.1002/anie.201902543	journal	May 2019
Regenerable and stable sp2 carbon-conjugated covalent organic frameworks for selective detection and extraction of uranium Cui, Wei-Rong; Zhang, Cheng-Rong; Jiang, Wei Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-14289-x	journal	January 2020
Rational design of crystalline supermicroporous covalent organic frameworks with triangular topologies Dalapati, Sasanka; Addicoat, Matthew; Jin, Shangbin Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8786	journal	July 2015
Electrically conductive covalent organic frameworks: bridging the fields of organic metals and 2D materials Souto, Manuel; Perepichka, Dmitrii F. Journal of Materials Chemistry C, Vol. 9, Issue 33 https://doi.org/10.1039/D1TC00750E	journal	January 2021
Fully Conjugated Donor–Acceptor Covalent Organic Frameworks for Photocatalytic Oxidative Amine Coupling and Thioamide Cyclization Li, Shuai; Li, Li; Li, Yijun ACS Catalysis, Vol. 10, Issue 15 https://doi.org/10.1021/acscatal.0c01242	journal	July 2020
Fully Conjugated Two‐Dimensional sp ² ‐Carbon Covalent Organic Frameworks as Artificial Photosystem I with High Efficiency Zhao, Yingjie; Liu, Hui; Wu, Chenyu Angewandte Chemie, Vol. 131, Issue 16 https://doi.org/10.1002/ange.201901194	journal	March 2019
2D sp2 Carbon-Conjugated Covalent Organic Frameworks for Photocatalytic Hydrogen Production from Water Jin, Enquan; Lan, Zhian; Jiang, Qiuhong Chem, Vol. 5, Issue 6 https://doi.org/10.1016/j.chempr.2019.04.015	journal	June 2019
The emerging covalent organic frameworks (COFs) for solar-driven fuels production Xia, Changlei; Kirlikovali, Kent O.; Nguyen, Thi Hong Chuong Coordination Chemistry Reviews, Vol. 446 https://doi.org/10.1016/j.ccr.2021.214117	journal	November 2021
All sp2 carbon covalent organic frameworks He, Ting; Geng, Keyu; Jiang, Donglin Trends in Chemistry, Vol. 3, Issue 6 https://doi.org/10.1016/j.trechm.2021.03.008	journal	June 2021
Grand Challenges and Future Opportunities for Metal–Organic Frameworks Hendon, Christopher H.; Rieth, Adam J.; Korzyński, Maciej D. ACS Central Science, Vol. 3, Issue 6 https://doi.org/10.1021/acscentsci.7b00197	journal	June 2017
Unraveling the effect of defects, domain size, and chemical doping on photophysics and charge transport in covalent organic frameworks Ghosh, Raja; Paesani, Francesco Chemical Science, Vol. 12, Issue 24 https://doi.org/10.1039/D1SC01262B	journal	January 2021
A Two-Dimensional Poly(azatriangulene) Covalent Organic Framework with Semiconducting and Paramagnetic States Lakshmi, Vellanki; Liu, Cheng-Hao; Rajeswara Rao, Malakalapalli Journal of the American Chemical Society, Vol. 142, Issue 5 https://doi.org/10.1021/jacs.9b11528	journal	January 2020
Excitons and Polarons in Organic Materials Ghosh, Raja; Spano, Frank C. Accounts of Chemical Research, Vol. 53, Issue 10 https://doi.org/10.1021/acs.accounts.0c00349	journal	October 2020
Polaron Delocalization in Conjugated Polymer Films Ghosh, Raja; Pochas, Christopher M.; Spano, Frank C. The Journal of Physical Chemistry C, Vol. 120, Issue 21 https://doi.org/10.1021/acs.jpcc.6b02917	journal	May 2016
Spectral Signatures and Spatial Coherence of Bound and Unbound Polarons in P3HT Films: Theory Versus Experiment Ghosh, Raja; Chew, Annabel R.; Onorato, Jonathan The Journal of Physical Chemistry C, Vol. 122, Issue 31 https://doi.org/10.1021/acs.jpcc.8b03873	journal	July 2018
Anisotropic Polaron Delocalization in Conjugated Homopolymers and Donor–Acceptor Copolymers Ghosh, Raja; Luscombe, Christine K.; Hambsch, Mike Chemistry of Materials, Vol. 31, Issue 17 https://doi.org/10.1021/acs.chemmater.9b01704	journal	December 2018
Sequential Doping Reveals the Importance of Amorphous Chain Rigidity in Charge Transport of Semi-Crystalline Polymers Chew, Annabel R.; Ghosh, Raja; Shang, Zhengrong The Journal of Physical Chemistry Letters, Vol. 8, Issue 20 https://doi.org/10.1021/acs.jpclett.7b01989	journal	September 2017
Unraveling the Effect of Conformational and Electronic Disorder in the Charge Transport Processes of Semiconducting Polymers Chew, Annabel R.; Ghosh, Raja; Pakhnyuk, Viktoria Advanced Functional Materials, Vol. 28, Issue 41 https://doi.org/10.1002/adfm.201804142	journal	August 2018
Dodecaborane‐Based Dopants Designed to Shield Anion Electrostatics Lead to Increased Carrier Mobility in a Doped Conjugated Polymer Aubry, Taylor J.; Axtell, Jonathan C.; Basile, Victoria M. Advanced Materials, Vol. 31, Issue 11 https://doi.org/10.1002/adma.201805647	journal	January 2019
A general relationship between disorder, aggregation and charge transport in conjugated polymers Noriega, Rodrigo; Rivnay, Jonathan; Vandewal, Koen Nature Materials, Vol. 12, Issue 11 https://doi.org/10.1038/nmat3722	journal	August 2013
Device Physics of Solution-Processed Organic Field-Effect Transistors Sirringhaus, H. Advanced Materials, Vol. 17, Issue 20, p. 2411-2425 https://doi.org/10.1002/adma.200501152	journal	October 2005
Relative importance of polaron activation and disorder on charge transport in high-mobility conjugated polymer field-effect transistors Chang, Jui-Fen; Sirringhaus, Henning; Giles, Mark Physical Review B, Vol. 76, Issue 20 https://doi.org/10.1103/PhysRevB.76.205204	journal	November 2007
Narrower Bands with Better Charge Transport: The Counterintuitive Behavior of Semiconducting Copolymers Fornari, Rocco P.; Troisi, Alessandro Advanced Materials, Vol. 26, Issue 45 https://doi.org/10.1002/adma.201402941	journal	October 2014
Charge transport in doped organic semiconductors Shen, Yulong; Diest, Kenneth; Wong, Man Hoi Physical Review B, Vol. 68, Issue 8 https://doi.org/10.1103/PhysRevB.68.081204	journal	August 2003
Molecular parameters responsible for thermally activated transport in doped organic semiconductors Schwarze, Martin; Gaul, Christopher; Scholz, Reinhard Nature Materials, Vol. 18, Issue 3 https://doi.org/10.1038/s41563-018-0277-0	journal	January 2019
Localized states and electronic transport in single component organic solids with diagonal disorder Bässler, H. physica status solidi (b), Vol. 107, Issue 1 https://doi.org/10.1002/pssb.2221070102	journal	September 1981
What Determines Inhomogeneous Broadening of Electronic Transitions in Conjugated Polymers? Hoffmann, Sebastian T.; Bässler, Heinz; Köhler, Anna The Journal of Physical Chemistry B, Vol. 114, Issue 51 https://doi.org/10.1021/jp107357y	journal	December 2010
Oligothiophene-Bridged Conjugated Covalent Organic Frameworks Keller, Niklas; Bessinger, Derya; Reuter, Stephan Journal of the American Chemical Society, Vol. 139, Issue 24 https://doi.org/10.1021/jacs.7b01631	journal	June 2017
Postsynthetic Modification of a Covalent Organic Framework Achieved via Strain-Promoted Cycloaddition Li, Kelvin; Wong, Naomi K.; Strauss, Michael J. Journal of the American Chemical Society, Vol. 143, Issue 2 https://doi.org/10.1021/jacs.0c11811	journal	January 2021
Recent Advances in Covalent Organic Frameworks for Heavy Metal Removal Applications Gatou, Maria-Anna; Bika, Panagiota; Stergiopoulos, Thomas Energies, Vol. 14, Issue 11 https://doi.org/10.3390/en14113197	journal	May 2021
Proximity Effect in Crystalline Framework Materials: Stacking‐Induced Functionality in MOFs and COFs Kuc, Agnieszka; Springer, Maximilian A.; Batra, Kamal Advanced Functional Materials, Vol. 30, Issue 41 https://doi.org/10.1002/adfm.201908004	journal	February 2020
Transformation between 2D and 3D Covalent Organic Frameworks via Reversible [2 + 2] Cycloaddition Jadhav, Thaksen; Fang, Yuan; Liu, Cheng-Hao Journal of the American Chemical Society, Vol. 142, Issue 19 https://doi.org/10.1021/jacs.0c01990	journal	April 2020
Two-Dimensional Kagome Lattices Made of Hetero Triangulenes Are Dirac Semimetals or Single-Band Semiconductors Jing, Yu; Heine, Thomas Journal of the American Chemical Society, Vol. 141, Issue 2 https://doi.org/10.1021/jacs.8b09900	journal	November 2018
The Spectral Signatures of Frenkel Polarons in H- and J-Aggregates Spano, Frank C. Accounts of Chemical Research, Vol. 43, Issue 3 https://doi.org/10.1021/ar900233v	journal	March 2010
Expanded Theory of H- and J-Molecular Aggregates: The Effects of Vibronic Coupling and Intermolecular Charge Transfer Hestand, Nicholas J.; Spano, Frank C. Chemical Reviews, Vol. 118, Issue 15 https://doi.org/10.1021/acs.chemrev.7b00581	journal	April 2018
High-Mobility Semiconducting Two-Dimensional Conjugated Covalent Organic Frameworks with p -Type Doping Wang, Mingchao; Wang, Mao; Lin, Hung-Hsuan Journal of the American Chemical Society, Vol. 142, Issue 52 https://doi.org/10.1021/jacs.0c10482	journal	December 2020
Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking Li, Xing; Qiao, Jingsi; Chee, See Wee Journal of the American Chemical Society, Vol. 142, Issue 10 https://doi.org/10.1021/jacs.0c00553	journal	February 2020
Highly crystalline covalent organic frameworks from flexible building blocks Xu, Liqian; Ding, San-Yuan; Liu, Junmin Chemical Communications, Vol. 52, Issue 25 https://doi.org/10.1039/C6CC01171C	journal	January 2016
A Crystalline Imine-Linked 3-D Porous Covalent Organic Framework Uribe-Romo, Fernando J.; Hunt, Joseph R.; Furukawa, Hiroyasu Journal of the American Chemical Society, Vol. 131, Issue 13, p. 4570-4571 https://doi.org/10.1021/ja8096256	journal	April 2009
Crystalline Covalent Organic Frameworks with Hydrazone Linkages Uribe-Romo, Fernando J.; Doonan, Christian J.; Furukawa, Hiroyasu Journal of the American Chemical Society, Vol. 133, Issue 30, p. 11478-11481 https://doi.org/10.1021/ja204728y	journal	August 2011
Acid Exfoliation of Imine‐linked Covalent Organic Frameworks Enables Solution Processing into Crystalline Thin Films Burke, David W.; Sun, Chao; Castano, Ioannina Angewandte Chemie International Edition, Vol. 59, Issue 13 https://doi.org/10.1002/anie.201913975	journal	March 2020
Controllable Synthesis and Performance Modulation of 2D Covalent–Organic Frameworks Li, Chenyu; Yu, Gui Small, Vol. 17, Issue 47 https://doi.org/10.1002/smll.202100918	journal	July 2021
Design strategies for improving the crystallinity of covalent organic frameworks and conjugated polymers: a review Yang, Jie; Kang, Fangyuan; Wang, Xiang Materials Horizons, Vol. 9, Issue 1 https://doi.org/10.1039/D1MH00809A	journal	January 2022
Synchronized Offset Stacking: A Concept for Growing Large-Domain and Highly Crystalline 2D Covalent Organic Frameworks Auras, Florian; Ascherl, Laura; Hakimioun, Amir H. Journal of the American Chemical Society, Vol. 138, Issue 51 https://doi.org/10.1021/jacs.6b09787	journal	December 2016
Large Exciton Diffusion Coefficients in Two-Dimensional Covalent Organic Frameworks with Different Domain Sizes Revealed by Ultrafast Exciton Dynamics Flanders, Nathan C.; Kirschner, Matthew S.; Kim, Pyosang Journal of the American Chemical Society, Vol. 142, Issue 35 https://doi.org/10.1021/jacs.0c05404	journal	July 2020
Two-Dimensional Chemiresistive Covalent Organic Framework with High Intrinsic Conductivity Meng, Zheng; Stolz, Robert M.; Mirica, Katherine A. Journal of the American Chemical Society, Vol. 141, Issue 30 https://doi.org/10.1021/jacs.9b03441	journal	June 2019
Fluorene-Based Two-Dimensional Covalent Organic Framework with Thermoelectric Properties through Doping Wang, Liangying; Dong, Bin; Ge, Rile ACS Applied Materials & Interfaces, Vol. 9, Issue 8 https://doi.org/10.1021/acsami.6b14916	journal	February 2017
Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework Cai, Song-Liang; Zhang, Yue-Biao; Pun, Andrew B. Chem. Sci., Vol. 5, Issue 12 https://doi.org/10.1039/C4SC02593H	journal	January 2014
A 3D Covalent Organic Framework with Exceptionally High Iodine Capture Capability Wang, Chang; Wang, Yu; Ge, Rile Chemistry - A European Journal, Vol. 24, Issue 3 https://doi.org/10.1002/chem.201705405	journal	December 2017
Three-Dimensional Tetrathiafulvalene-Based Covalent Organic Frameworks for Tunable Electrical Conductivity Li, Hui; Chang, Jianhong; Li, Shanshan Journal of the American Chemical Society, Vol. 141, Issue 34 https://doi.org/10.1021/jacs.9b06908	journal	August 2019
Highly conducting Wurster-type twisted covalent organic frameworks Rotter, Julian M.; Guntermann, Roman; Auth, Michael Chemical Science, Vol. 11, Issue 47 https://doi.org/10.1039/D0SC03909H	journal	January 2020
Synthesis of electrically conducting organic polymers: halogen derivatives of polyacetylene, (CH) x Shirakawa, Hideki; Louis, Edwin J.; MacDiarmid, Alan G. Journal of the Chemical Society, Chemical Communications, Issue 16 https://doi.org/10.1039/c39770000578	journal	January 1977
Highly Conductive PEDOT:PSS Nanofibrils Induced by Solution-Processed Crystallization Kim, Nara; Kee, Seyoung; Lee, Seoung Ho Advanced Materials, Vol. 26, Issue 14 https://doi.org/10.1002/adma.201304611	journal	December 2013
Doping Engineering Enables Highly Conductive and Thermally Stable n-Type Organic Thermoelectrics with High Power Factor Liu, Jian; Garman, Matt P.; Dong, Jingjin ACS Applied Energy Materials, Vol. 2, Issue 9 https://doi.org/10.1021/acsaem.9b01179	journal	August 2019
SLEPc: A scalable and flexible toolkit for the solution of eigenvalue problems Hernandez, Vicente; Roman, Jose E.; Vidal, Vicente ACM Transactions on Mathematical Software, Vol. 31, Issue 3 https://doi.org/10.1145/1089014.1089019	journal	September 2005

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