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Title: Local Electronic Structure of Molecular Heterojunctions in a Single‐Layer 2D Covalent Organic Framework

Authors:
ORCiD logo [1];  [1];  [2];  [3];  [4];  [3];  [5];  [5];  [3];  [6]
  1. Department of PhysicsUniversity of California – Berkeley Berkeley CA 94720 USA
  2. Laboratory for Computational and Theoretical Chemistry of Advanced MaterialsPhysical Science and Engineering DivisionKing Abdullah University of Science and Technology Thuwal 23955‐6900 Kingdom of Saudi Arabia
  3. Department of ChemistryKavli Energy NanoScience Institute and Berkeley Global Science InstituteUniversity of California – Berkeley Berkeley CA 94720 USA, Materials Sciences DivisionLawrence Berkeley National Laboratory Berkeley CA 94720 USA
  4. School of Physical Sciences &, CAS Center for Excellence in Topological Quantum ComputationUniversity of Chinese Academy of Sciences Beijing 100190 P. R. China
  5. Laboratory for Computational and Theoretical Chemistry of Advanced MaterialsPhysical Science and Engineering DivisionKing Abdullah University of Science and Technology Thuwal 23955‐6900 Kingdom of Saudi Arabia, School of Chemistry and Biochemistry &, Center for Organic Photonics and ElectronicsGeorgia Institute of Technology 901 Atlantic Drive NW Atlanta GA 30332‐0400 USA
  6. Department of PhysicsUniversity of California – Berkeley Berkeley CA 94720 USA, Materials Sciences DivisionLawrence Berkeley National Laboratory Berkeley CA 94720 USA, Kavli Energy NanoScience InstituteUniversity of California BerkeleyLawrence Berkeley National Laboratory Berkeley CA 94720 USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1483708
Grant/Contract Number:  
DEAC02‐05CH11231
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Advanced Materials
Additional Journal Information:
Journal Name: Advanced Materials Journal Volume: 31 Journal Issue: 3; Journal ID: ISSN 0935-9648
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English

Citation Formats

Joshi, Trinity, Chen, Chen, Li, Huifang, Diercks, Christian S., Wang, Gaoqiang, Waller, Peter J., Li, Hong, Bredas, Jean‐Luc, Yaghi, Omar M., and Crommie, Michael F. Local Electronic Structure of Molecular Heterojunctions in a Single‐Layer 2D Covalent Organic Framework. Germany: N. p., 2018. Web. doi:10.1002/adma.201805941.
Joshi, Trinity, Chen, Chen, Li, Huifang, Diercks, Christian S., Wang, Gaoqiang, Waller, Peter J., Li, Hong, Bredas, Jean‐Luc, Yaghi, Omar M., & Crommie, Michael F. Local Electronic Structure of Molecular Heterojunctions in a Single‐Layer 2D Covalent Organic Framework. Germany. doi:10.1002/adma.201805941.
Joshi, Trinity, Chen, Chen, Li, Huifang, Diercks, Christian S., Wang, Gaoqiang, Waller, Peter J., Li, Hong, Bredas, Jean‐Luc, Yaghi, Omar M., and Crommie, Michael F. Mon . "Local Electronic Structure of Molecular Heterojunctions in a Single‐Layer 2D Covalent Organic Framework". Germany. doi:10.1002/adma.201805941.
@article{osti_1483708,
title = {Local Electronic Structure of Molecular Heterojunctions in a Single‐Layer 2D Covalent Organic Framework},
author = {Joshi, Trinity and Chen, Chen and Li, Huifang and Diercks, Christian S. and Wang, Gaoqiang and Waller, Peter J. and Li, Hong and Bredas, Jean‐Luc and Yaghi, Omar M. and Crommie, Michael F.},
abstractNote = {},
doi = {10.1002/adma.201805941},
journal = {Advanced Materials},
issn = {0935-9648},
number = 3,
volume = 31,
place = {Germany},
year = {2018},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on November 28, 2019
Publisher's Accepted Manuscript

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Projector augmented-wave method
journal, December 1994


Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Designed Synthesis of 3D Covalent Organic Frameworks
journal, April 2007

  • El-Kaderi, Hani M.; Hunt, Joseph R.; Mendoza-Cortes, Jose L.
  • Science, Vol. 316, Issue 5822, p. 268-272
  • DOI: 10.1126/science.1139915

A Belt-Shaped, Blue Luminescent, and Semiconducting Covalent Organic Framework
journal, November 2008

  • Wan, Shun; Guo, Jia; Kim, Jangbae
  • Angewandte Chemie International Edition, Vol. 47, Issue 46, p. 8826-8830
  • DOI: 10.1002/anie.200803826

Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
journal, October 1986


Porous, Crystalline, Covalent Organic Frameworks
journal, November 2005

  • C�t�, Adrien P.; Benin, Annabelle I.; Ockwig, Nathan W.
  • Science, Vol. 310, Issue 5751, p. 1166-1170
  • DOI: 10.1126/science.1120411