skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [4];  [2]; ORCiD logo [5]
  1. Department of Chemical and Biomolecular Engineering, University of California, Berkeley 94720, United States
  2. Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, U.K.
  3. Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, Valais, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Switzerland
  4. Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, IMDEA Materials Institute, Calle Eric Kandel 2, 28906 Getafe, Madrid, Spain
  5. Department of Chemical and Biomolecular Engineering, University of California, Berkeley 94720, United States, Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, Valais, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Switzerland
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS); Univ. of California, Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1419698
Alternate Identifier(s):
OSTI ID: 1433122; OSTI ID: 1508749
Grant/Contract Number:  
SC0001015; FG02-12ER16362P; AC02-05CH11231
Resource Type:
Published Article
Journal Name:
ACS Central Science
Additional Journal Information:
Journal Name: ACS Central Science Journal Volume: 4 Journal Issue: 2; Journal ID: ISSN 2374-7943
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Witman, Matthew, Ling, Sanliang, Boyd, Peter, Barthel, Senja, Haranczyk, Maciej, Slater, Ben, and Smit, Berend. Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites. United States: N. p., 2018. Web. doi:10.1021/acscentsci.7b00555.
Witman, Matthew, Ling, Sanliang, Boyd, Peter, Barthel, Senja, Haranczyk, Maciej, Slater, Ben, & Smit, Berend. Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites. United States. doi:10.1021/acscentsci.7b00555.
Witman, Matthew, Ling, Sanliang, Boyd, Peter, Barthel, Senja, Haranczyk, Maciej, Slater, Ben, and Smit, Berend. Tue . "Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites". United States. doi:10.1021/acscentsci.7b00555.
@article{osti_1419698,
title = {Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites},
author = {Witman, Matthew and Ling, Sanliang and Boyd, Peter and Barthel, Senja and Haranczyk, Maciej and Slater, Ben and Smit, Berend},
abstractNote = {},
doi = {10.1021/acscentsci.7b00555},
journal = {ACS Central Science},
number = 2,
volume = 4,
place = {United States},
year = {2018},
month = {2}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1021/acscentsci.7b00555

Citation Metrics:
Cited by: 7 works
Citation information provided by
Web of Science

Save / Share:

Works referencing / citing this record:

Using graphs to quantify energetic and structural order in semicrystalline oligothiophene thin films
journal, January 2018

  • Van, Ellen; Jones, Matthew; Jankowski, Eric
  • Molecular Systems Design & Engineering, Vol. 3, Issue 5
  • DOI: 10.1039/c8me00028j

Using graphs to quantify energetic and structural order in semicrystalline oligothiophene thin films
journal, January 2018

  • Van, Ellen; Jones, Matthew; Jankowski, Eric
  • Molecular Systems Design & Engineering, Vol. 3, Issue 5
  • DOI: 10.1039/c8me00028j