{"id":14,"date":"2015-07-27T22:00:55","date_gmt":"2015-07-28T02:00:55","guid":{"rendered":"http:\/\/pages.vassar.edu\/bendavidgroup\/?page_id=14"},"modified":"2024-01-08T09:48:35","modified_gmt":"2024-01-08T14:48:35","slug":"publications","status":"publish","type":"page","link":"https:\/\/pages.vassar.edu\/bendavidgroup\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"<p><strong>Journal Articles<\/strong><\/p>\n<ul>\n<li><strong>L.I. Bendavid<\/strong>. High-Performance Computational Chemistry in Undergraduate Physical Chemistry: Exercises in Homonuclear Diatomic Molecules. <em>J. Chem. Ed.,<\/em> <strong>100<\/strong>, 1, 389\u2013394 (2023)<\/li>\n<li><strong>L.I. Bendavid<\/strong>, Y. Zhong*, Z. Che*, Y. Konuk*. Strain-engineering in two-dimensional transition metal dichalcogenide alloys. <em>J. Appl. Phys.<\/em>, <strong>132<\/strong>, 225303 (2022)<\/li>\n<li><strong>L.I. Bendavid<\/strong>, S. Inoue, B. Mai, S. Yu. Interfacial properties of two-dimensional CdS\/GO from DFT. <em>Surfaces and Interfaces<\/em>, <strong>30<\/strong>, 101960 (2022)<\/li>\n<li><strong>L.I. Bendavid<\/strong> and O.T. Fauth (co-first authors). Strain-engineered Mn-doped transition metal dichalcogenides. <em>Journal of Electronic Materials<\/em>, <strong>51<\/strong>, 1358 (2022)<\/li>\n<li><strong>L.I. Bendavid<\/strong>, A.O. Atsango, R.W. Smith. Interfacial properties of pure and doped CdS\/graphene nanocomposites: CdS(0001)\/graphene and a CdS\/graphene bilayer. <em>Computational Materials Science<\/em>, <strong>177<\/strong>, 109537 (2020)<\/li>\n<li><strong>L.I. Bendavid<\/strong> and L. Kugelmass. Doping and interfacial modification of the P3HT\/ZnO photovoltaic interface: Insights from density functional theory. <em>Surface Science, <\/em><strong>695<\/strong>, 121575 (2020)<\/li>\n<li><strong>L.I. Bendavid <\/strong>and E.A. Carter. CO<sub>2<\/sub> adsorption on Cu<sub>2<\/sub>O(111): A DFT+U and DFT-D study. <em>J. Phys. Chem. C,<\/em> <strong>117<\/strong>, 26048 (2013)<\/li>\n<li><strong>L.I. Bendavid <\/strong>and E.A. Carter. First principles predictions of the structure, stability, and photocatalytic potential of Cu<sub>2<\/sub>O surfaces. <em>J. Phys. Chem. B<\/em>, <strong>117<\/strong>, 15750 (2013)<\/li>\n<li><strong>L.I. Bendavid <\/strong>and E.A. Carter. First Principles Study of Bonding, Adhesion, and Electronic Structure at the Cu<sub>2<\/sub>O(111)\/ZnO Interface. <em>Surf. Sci.,<\/em> <strong>618<\/strong>, 62 (2013)<\/li>\n<li><strong>L.Y. Isseroff<\/strong> and E.A. Carter. Electronic structure of pure and doped cuprous oxide with copper vacancies: Suppression of trap states.<em> Chem. Mat., <\/em><strong>25<\/strong>, 253 (2013)<\/li>\n<li><strong>L.Y. Isseroff<\/strong> and E.A. Carter. Importance of reference Hamiltonians containing exact exchange for accurate one-shot GW calculations of Cu<sub>2<\/sub>O. <em>Phys. Rev. B,<\/em> <strong>85<\/strong>, 235142 (2012)<\/li>\n<li>M.C. Toroker, D.K. Kanan, N. Alidoust, <strong>L.Y. Isseroff<\/strong>, P. Liao, and E.A. Carter. First principles scheme to evaluate band edge positions in potential transition metal oxide photocatalysts and photoelectrodes. <em>Phys. Chem. Chem. Phys.<\/em> <strong>13<\/strong>, 16644 (2011).<\/li>\n<\/ul>\n<p><strong>Book Chapters<\/strong><\/p>\n<ul>\n<li><strong>L.I. Bendavid <\/strong>and E.A. Carter. Status in Calculating Electronic Excited States in Transition Metal Oxides from First Principles. <em>Topics in Current Chemistry<\/em>, C. Di Valentin, S. Botti, and M. Cococcioni, Eds. 1 (Springer Berlin Heidelberg, 2014)<\/li>\n<\/ul>\n<p><strong>Conference Presentations<\/strong><\/p>\n<ul>\n<li>\u201cBoronic acid adsorption on TiO<sub>2<\/sub> rutile (110): A DFT+U study,\u201d American Chemical Society National Meeting and Exposition, Indianapolis, IN. 2023 [oral presentation]<\/li>\n<li>\u201cEngineering two-dimensional materials and interfaces for photocatalytic and spintronic applications using density functional theory,\u201d Materials Research Society Spring Meeting, virtual meeting, 2022 [oral presentation]<\/li>\n<li>\u201cProperties of Solar Energy and Spintronic Materials from DFT,\u201d ACS Middle Atlantic Regional Meeting, virtual meeting, 2021 [oral presentation]<\/li>\n<li>\u201cInterfacial Properties of Two-dimensional CdS\/Graphene Nanocomposites,\u201d The 83<sup>rd<\/sup> Annual Meeting of the Israel Chemical Society, Tel Aviv, Israel, 2018 [poster presentation]<\/li>\n<li>\u201cInterfacial Properties of Two-dimensional CdS\/Graphene Nanocomposites,\u201d American Conference on Theoretical Chemistry (ACTC) 2017, Boston University, Boston, MA. 2017 [poster presentation]<\/li>\n<li>\u201cApplications of the <em>ab initio<\/em> nanoreactor: Hydrocarbon synthesis,\u201d American Conference on Theoretical Chemistry (ACTC) 2014, Telluride Science Research Center, Telluride, CO. 2014 [poster presentation]<\/li>\n<li>\u201cInsights Into the Performance of Cu<sub>2<\/sub>O in Photocatalytic CO<sub>2<\/sub> Conversion,\u201d AIChE Annual Meeting, San Francisco, CA. 2013 [oral presentation]<\/li>\n<li>\u201cDesigning new materials for harvesting solar energy,\u201d NJTC Regional Commercialization Conference, Wilmington, DE. 2012 [oral presentation]<\/li>\n<li>\u201cElectronic Structure of Pure and Doped Cuprous Oxide with Copper Vacancies: Suppression of Trap States,\u201d Gordon Research Conference on Computational Chemistry, Mt. Snow, VM. 2012 [poster presentation]<\/li>\n<li>\u201cQuantum Mechanical Studies of Copper(I) Oxide for Photocatalysis,\u201d American Conference on Theoretical Chemistry (ACTC) 2011, Telluride Science Research Center, Telluride, CO. 2011 [poster presentation]<\/li>\n<li>\u201cAnalysis of Cuprous Oxide as a Possible Photocatalyst for Carbon Dioxide Reduction,\u201d 241st American Chemical Society National Meeting and Exposition, Anaheim, CA. 2011 [oral presentation]<\/li>\n<li>\u201cQuantum Mechanical Studies of Copper (I) Oxide for Solar Energy Conversion Applications,\u201d Tokyo Institute of Technology Energy Global COE International Forum on Multidisciplinary Education and Research for Energy Science, Tokyo, Japan. 2010 [oral presentation]<\/li>\n<li>\u201cQuantum Mechanical Studies of Copper(I) Oxide for Solar Energy Conversion Applications,\u201d Advanced Energy 2010 Conference, Stony Brook, NY. 2010 [poster presentation]<\/li>\n<li>\u201cQuantum Mechanical Studies of Copper(I) Oxide for Solar Energy Conversion Applications\u201d Chemical and Biological Engineering Graduate Student Symposium, Princeton University. 2010 [oral presentation]<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>Journal Articles L.I. Bendavid. High-Performance Computational Chemistry in Undergraduate Physical Chemistry: Exercises in Homonuclear Diatomic Molecules. J. Chem. Ed., 100, 1, 389\u2013394 (2023) L.I. Bendavid, Y. Zhong*, Z. Che*, Y. Konuk*. Strain-engineering in two-dimensional transition metal dichalcogenide alloys. J. Appl. &hellip; <a href=\"https:\/\/pages.vassar.edu\/bendavidgroup\/publications\/\">Continue reading <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":7447,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-14","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/pages.vassar.edu\/bendavidgroup\/wp-json\/wp\/v2\/pages\/14","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/pages.vassar.edu\/bendavidgroup\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/pages.vassar.edu\/bendavidgroup\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/pages.vassar.edu\/bendavidgroup\/wp-json\/wp\/v2\/users\/7447"}],"replies":[{"embeddable":true,"href":"https:\/\/pages.vassar.edu\/bendavidgroup\/wp-json\/wp\/v2\/comments?post=14"}],"version-history":[{"count":7,"href":"https:\/\/pages.vassar.edu\/bendavidgroup\/wp-json\/wp\/v2\/pages\/14\/revisions"}],"predecessor-version":[{"id":103,"href":"https:\/\/pages.vassar.edu\/bendavidgroup\/wp-json\/wp\/v2\/pages\/14\/revisions\/103"}],"wp:attachment":[{"href":"https:\/\/pages.vassar.edu\/bendavidgroup\/wp-json\/wp\/v2\/media?parent=14"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}