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2D lateral heterostructures of group-III monochalcogenide: Potential photovoltaic applications
Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Ion & Electron Beams, Dalian 116024, Peoples R China.
Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Ion & Electron Beams, Dalian 116024, Peoples R China.
Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Ion & Electron Beams, Dalian 116024, Peoples R China.
Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Ion & Electron Beams, Dalian 116024, Peoples R China.
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2018 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 112, no 14, article id 143902Article in journal (Refereed) Published
Abstract [en]

Solar photovoltaics provides a practical and sustainable solution to the increasing global energy demand. Using first-principles calculations, we investigate the energetics and electronic properties of two-dimensional lateral heterostructures by group-III monochalcogenides and explore their potential applications in photovoltaics. The band structures and formation energies from supercell calculations demonstrate that these heterostructures retain semiconducting behavior and might be synthesized in laboratory using the chemical vapor deposition technique. According to the computed band offsets, most of the heterojunctions belong to type II band alignment, which can prevent the recombination of electron-hole pairs. Besides, the electronic properties of these lateral heterostructures can be effectively tailored by the number of layers, leading to a high theoretical power conversion efficiency over 20%.

Place, publisher, year, edition, pages
AMER INST PHYSICS , 2018. Vol. 112, no 14, article id 143902
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Condensed Matter Physics
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URN: urn:nbn:se:uu:diva-352696DOI: 10.1063/1.5020618ISI: 000429344100038OAI: oai:DiVA.org:uu-352696DiVA, id: diva2:1215576
Available from: 2018-06-08 Created: 2018-06-08 Last updated: 2018-06-08Bibliographically approved

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Ahuja, Rajeev

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