OCELOT: An infrastructure for data-driven research to discover and design crystalline organic semiconductors.

Autor: Ai Q; Department of Chemistry and Center for Applied Energy Research, University of Kentucky, Lexington, Kentucky 40506-0055, USA., Bhat V; Department of Chemistry and Center for Applied Energy Research, University of Kentucky, Lexington, Kentucky 40506-0055, USA., Ryno SM; Department of Chemistry and Center for Applied Energy Research, University of Kentucky, Lexington, Kentucky 40506-0055, USA., Jarolimek K; Department of Chemistry and Center for Applied Energy Research, University of Kentucky, Lexington, Kentucky 40506-0055, USA., Sornberger P; Department of Chemistry and Center for Applied Energy Research, University of Kentucky, Lexington, Kentucky 40506-0055, USA., Smith A; Department of Chemistry and Center for Applied Energy Research, University of Kentucky, Lexington, Kentucky 40506-0055, USA., Haley MM; Department of Chemistry and Biochemistry, University of Oregon, Eugene, Oregon 97403-1253, USA., Anthony JE; Department of Chemistry and Center for Applied Energy Research, University of Kentucky, Lexington, Kentucky 40506-0055, USA., Risko C; Department of Chemistry and Center for Applied Energy Research, University of Kentucky, Lexington, Kentucky 40506-0055, USA.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2021 May 07; Vol. 154 (17), pp. 174705.

Oxidation Pathways Involving a Sulfide-Endcapped Donor-Acceptor-Donor π-Conjugated Molecule and Antimony(V) Chloride.

Autor: Chaudhry S; Department of Chemistry , Purdue University , West Lafayette , Indiana 47907 , United States., Ryno SM; Department of Chemistry & Center for Applied Energy Research (CAER) , University of Kentucky , Lexington , Kentucky 40506 , United States., Zeller M; Department of Chemistry , Purdue University , West Lafayette , Indiana 47907 , United States., McMillin DR; Department of Chemistry , Purdue University , West Lafayette , Indiana 47907 , United States., Risko C; Department of Chemistry & Center for Applied Energy Research (CAER) , University of Kentucky , Lexington , Kentucky 40506 , United States., Mei J; Department of Chemistry , Purdue University , West Lafayette , Indiana 47907 , United States.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2019 May 02; Vol. 123 (17), pp. 3866-3874. Date of Electronic Publication: 2019 Apr 17.

Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.

Autor: Purdum GE; Department of Chemical and Biological Engineering , Princeton University , Princeton , New Jersey 08544 , United States., Telesz NG; Department of Chemistry , University of Kentucky , Lexington , Kentucky 40506 , United States., Jarolimek K; Department of Chemistry , University of Kentucky , Lexington , Kentucky 40506 , United States., Ryno SM; Department of Chemistry , University of Kentucky , Lexington , Kentucky 40506 , United States., Gessner T; BASF SE , 67056 Ludwigshafen , Germany., Davy NC; Department of Chemical and Biological Engineering , Princeton University , Princeton , New Jersey 08544 , United States., Petty AJ 2nd; Department of Chemistry , University of Kentucky , Lexington , Kentucky 40506 , United States., Zhen Y; Institute of Chemistry , Chinese Academy of Sciences , Beijing 100190 , China., Shu Y; Commonwealth Scientific and Industrial Research Organisation , Clayton South Victoria 3169 , Australia., Facchetti A; Flexterra Corporation , Skokie , Illinois 60077 , United States., Collis GE; Commonwealth Scientific and Industrial Research Organisation , Clayton South Victoria 3169 , Australia., Hu W; Institute of Chemistry , Chinese Academy of Sciences , Beijing 100190 , China., Wu C; BASF SE , 67056 Ludwigshafen , Germany., Anthony JE; Department of Chemistry , University of Kentucky , Lexington , Kentucky 40506 , United States., Weitz RT; BASF SE , 67056 Ludwigshafen , Germany., Risko C; Department of Chemistry , University of Kentucky , Lexington , Kentucky 40506 , United States., Loo YL; Department of Chemical and Biological Engineering , Princeton University , Princeton , New Jersey 08544 , United States.; Andlinger Center for Energy and the Environment , Princeton University , Princeton , New Jersey 08544 , United States.

Publikováno v: Journal of the American Chemical Society [J Am Chem Soc] 2018 Jun 20; Vol. 140 (24), pp. 7519-7525. Date of Electronic Publication: 2018 Jun 08.

Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors.

Autor: Ryno SM; Solar and Photovoltaics Engineering Research Center, Division of Physical Science and Engineering, King Abdullah University of Science and Technology , Thuwal 23599-6900, Kingdom of Saudi Arabia.; School of Chemistry and Biochemistry, Center for Organic Photonics and Electronics, Georgia Institute of Technology , Atlanta, Georgia 30332-0400, United States., Risko C; Department of Chemistry, Center for Applied Energy Research, University of Kentucky , Lexington, Kentucky 40506-0055, United States., Brédas JL; Solar and Photovoltaics Engineering Research Center, Division of Physical Science and Engineering, King Abdullah University of Science and Technology , Thuwal 23599-6900, Kingdom of Saudi Arabia.

Publikováno v: ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2016 Jun 08; Vol. 8 (22), pp. 14053-62. Date of Electronic Publication: 2016 May 25.