Strain-engineered optoelectronic properties of 2D transition metal dichalcogenide lateral heterostructures
Compared with their bulk counterparts, 2D materials can sustain much higher elastic strain at which optical quantities such as bandgaps and absorption spectra governing optoelectronic device performance can be modified with relative ease. Using first-principles density functional theory and quasipar...
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description | Compared with their bulk counterparts, 2D materials can sustain much higher elastic strain at which optical quantities such as bandgaps and absorption spectra governing optoelectronic device performance can be modified with relative ease. Using first-principles density functional theory and quasiparticle GW calculations, we demonstrate how uniaxial tensile strain can be utilized to optimize the electronic and optical properties of transition metal dichalcogenide lateral (in-plane) heterostructures such as MoX2/WX2 (X = S, Se, Te). We find that these lateral-type heterostructures may facilitate efficient electron-hole separation for light detection/harvesting and preserve their type II characteristic up to 12% of uniaxial strain. Based on the strain-dependent bandgap and band offset, we show that uniaxial tensile strain can significantly increase the power conversion efficiency of these lateral heterostructures. Our results suggest that these strain-engineered lateral heterostructures are promising for optimizing optoelectronic device performance by selectively tuning the energetics of the bandgap. |
doi_str_mv | 10.1088/2053-1583/aa5542 |
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(ORNL), Oak Ridge, TN (United States)</creatorcontrib><description>Compared with their bulk counterparts, 2D materials can sustain much higher elastic strain at which optical quantities such as bandgaps and absorption spectra governing optoelectronic device performance can be modified with relative ease. Using first-principles density functional theory and quasiparticle GW calculations, we demonstrate how uniaxial tensile strain can be utilized to optimize the electronic and optical properties of transition metal dichalcogenide lateral (in-plane) heterostructures such as MoX2/WX2 (X = S, Se, Te). We find that these lateral-type heterostructures may facilitate efficient electron-hole separation for light detection/harvesting and preserve their type II characteristic up to 12% of uniaxial strain. Based on the strain-dependent bandgap and band offset, we show that uniaxial tensile strain can significantly increase the power conversion efficiency of these lateral heterostructures. Our results suggest that these strain-engineered lateral heterostructures are promising for optimizing optoelectronic device performance by selectively tuning the energetics of the bandgap.</description><identifier>ISSN: 2053-1583</identifier><identifier>EISSN: 2053-1583</identifier><identifier>DOI: 10.1088/2053-1583/aa5542</identifier><language>eng</language><publisher>United States: IOP Publishing</publisher><subject>2D materials ; lateral heterostructure ; MATERIALS SCIENCE ; optoelectronic properties ; strain engineering ; transition metal dichalcogenides</subject><ispartof>2d materials, 2017-02, Vol.4 (2), p.21016</ispartof><rights>2017 IOP Publishing Ltd</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c446t-5473a2a8649b8f02d85e285d3b30e942135396f8eed5df5e584749ef476420fd3</citedby><cites>FETCH-LOGICAL-c446t-5473a2a8649b8f02d85e285d3b30e942135396f8eed5df5e584749ef476420fd3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://iopscience.iop.org/article/10.1088/2053-1583/aa5542/pdf$$EPDF$$P50$$Giop$$Hfree_for_read</linktopdf><link.rule.ids>230,314,780,784,885,27924,27925,38868,53840,53846,53893</link.rule.ids><backlink>$$Uhttps://www.osti.gov/servlets/purl/1346620$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Lee, Jaekwang</creatorcontrib><creatorcontrib>Huang, Jingsong</creatorcontrib><creatorcontrib>Sumpter, Bobby G</creatorcontrib><creatorcontrib>Yoon, Mina</creatorcontrib><creatorcontrib>Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)</creatorcontrib><title>Strain-engineered optoelectronic properties of 2D transition metal dichalcogenide lateral heterostructures</title><title>2d materials</title><addtitle>TDM</addtitle><addtitle>2D Mater</addtitle><description>Compared with their bulk counterparts, 2D materials can sustain much higher elastic strain at which optical quantities such as bandgaps and absorption spectra governing optoelectronic device performance can be modified with relative ease. Using first-principles density functional theory and quasiparticle GW calculations, we demonstrate how uniaxial tensile strain can be utilized to optimize the electronic and optical properties of transition metal dichalcogenide lateral (in-plane) heterostructures such as MoX2/WX2 (X = S, Se, Te). We find that these lateral-type heterostructures may facilitate efficient electron-hole separation for light detection/harvesting and preserve their type II characteristic up to 12% of uniaxial strain. Based on the strain-dependent bandgap and band offset, we show that uniaxial tensile strain can significantly increase the power conversion efficiency of these lateral heterostructures. Our results suggest that these strain-engineered lateral heterostructures are promising for optimizing optoelectronic device performance by selectively tuning the energetics of the bandgap.</description><subject>2D materials</subject><subject>lateral heterostructure</subject><subject>MATERIALS SCIENCE</subject><subject>optoelectronic properties</subject><subject>strain engineering</subject><subject>transition metal dichalcogenides</subject><issn>2053-1583</issn><issn>2053-1583</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2017</creationdate><recordtype>article</recordtype><sourceid>O3W</sourceid><recordid>eNp1UE1LAzEUXETBUnv3uHjw5Np8Nz1K_YSCB_Uc0uSlTdkmS5Ie_PemVMSDnt5jmJn3ZprmEqNbjKScEsRph7mkU605Z-SkGf1Ap7_282aS8xYhhGeCMixGzfatJO1DB2HtA0AC28ahROjBlBSDN-2Q4gCpeMhtdC25b6sgZF98DO0Oiu5b681G9yauIXgLba8LpApvoM6YS9qbsk-QL5ozp_sMk-85bj4eH94Xz93y9ellcbfsDGOidJzNqCZaCjZfSYeIlRyI5JauKII5I5hyOhdOAlhuHQcu2YzNwbGZYAQ5S8fN1dG33vYqG1_AbEwMoUZSmDIhCKokdCSZ-mJO4NSQ_E6nT4WROnSqDqWpQ2nq2GmVXB8lPg5qG_cp1BSq2J1iiihEMMJCDdZV4s0fxH99vwAXw4Xl</recordid><startdate>20170217</startdate><enddate>20170217</enddate><creator>Lee, Jaekwang</creator><creator>Huang, Jingsong</creator><creator>Sumpter, Bobby G</creator><creator>Yoon, Mina</creator><general>IOP Publishing</general><scope>O3W</scope><scope>TSCCA</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>OIOZB</scope><scope>OTOTI</scope></search><sort><creationdate>20170217</creationdate><title>Strain-engineered optoelectronic properties of 2D transition metal dichalcogenide lateral heterostructures</title><author>Lee, Jaekwang ; Huang, Jingsong ; Sumpter, Bobby G ; Yoon, Mina</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c446t-5473a2a8649b8f02d85e285d3b30e942135396f8eed5df5e584749ef476420fd3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2017</creationdate><topic>2D materials</topic><topic>lateral heterostructure</topic><topic>MATERIALS SCIENCE</topic><topic>optoelectronic properties</topic><topic>strain engineering</topic><topic>transition metal dichalcogenides</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Lee, Jaekwang</creatorcontrib><creatorcontrib>Huang, Jingsong</creatorcontrib><creatorcontrib>Sumpter, Bobby G</creatorcontrib><creatorcontrib>Yoon, Mina</creatorcontrib><creatorcontrib>Oak Ridge National Lab. 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(ORNL), Oak Ridge, TN (United States)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Strain-engineered optoelectronic properties of 2D transition metal dichalcogenide lateral heterostructures</atitle><jtitle>2d materials</jtitle><stitle>TDM</stitle><addtitle>2D Mater</addtitle><date>2017-02-17</date><risdate>2017</risdate><volume>4</volume><issue>2</issue><spage>21016</spage><pages>21016-</pages><issn>2053-1583</issn><eissn>2053-1583</eissn><abstract>Compared with their bulk counterparts, 2D materials can sustain much higher elastic strain at which optical quantities such as bandgaps and absorption spectra governing optoelectronic device performance can be modified with relative ease. Using first-principles density functional theory and quasiparticle GW calculations, we demonstrate how uniaxial tensile strain can be utilized to optimize the electronic and optical properties of transition metal dichalcogenide lateral (in-plane) heterostructures such as MoX2/WX2 (X = S, Se, Te). We find that these lateral-type heterostructures may facilitate efficient electron-hole separation for light detection/harvesting and preserve their type II characteristic up to 12% of uniaxial strain. Based on the strain-dependent bandgap and band offset, we show that uniaxial tensile strain can significantly increase the power conversion efficiency of these lateral heterostructures. Our results suggest that these strain-engineered lateral heterostructures are promising for optimizing optoelectronic device performance by selectively tuning the energetics of the bandgap.</abstract><cop>United States</cop><pub>IOP Publishing</pub><doi>10.1088/2053-1583/aa5542</doi><tpages>8</tpages><oa>free_for_read</oa></addata></record> |
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subjects | 2D materials lateral heterostructure MATERIALS SCIENCE optoelectronic properties strain engineering transition metal dichalcogenides |
title | Strain-engineered optoelectronic properties of 2D transition metal dichalcogenide lateral heterostructures |
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