The interfacial nature of few-layer transition metal dichalcogenide (TMD)-based van der Waals heterostructures (vdWHs) plays a vital role in their optoelectronic properties and can greatly influence charge transfer and recombination. Here, we consider a trilayer MoS2/WS2/WSe2 vdWH with ladder band alignment and address the relationship between the interface character and optoelectronic properties in terms of the atomic-bond-relaxation approach, Marcus theory, and the detailed balance principle. We find that a trilayer vdWH with ladder band alignment exhibits ultrafast interface charge transfer, and the interface barrier induced by the middle WS2 layer can significantly suppress interlayer recombination. The power conversion efficiency (PCE) of trilayer MoS2/WS2/WSe2 vdWHs can reach 2.43%. Our findings show that the PCE of MoS2/WS2/WSe2 vdWHs is obviously better than that of bilayer heterostructures, suggesting that the design of ladder band alignment can be an effective way to achieve highly efficient TMD-based photovoltaic devices.
机构:
Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, Sch Phys Sci, CAS Key Lab Vacuum Phys, Beijing 100190, Peoples R ChinaChinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Xin, Ming
Lan, Wenze
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Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, Sch Phys Sci, CAS Key Lab Vacuum Phys, Beijing 100190, Peoples R ChinaChinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Lan, Wenze
Bai, Qinghu
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Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, Sch Phys Sci, CAS Key Lab Vacuum Phys, Beijing 100190, Peoples R ChinaChinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Bai, Qinghu
Huang, Xin
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Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, Sch Phys Sci, CAS Key Lab Vacuum Phys, Beijing 100190, Peoples R ChinaChinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Huang, Xin
Watanabe, Kenji
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Natl Inst Mat Sci, Res Ctr Funct Mat, Tsukuba, JapanChinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Watanabe, Kenji
Taniguchi, Takashi
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Natl Inst Mat Sci, Int Ctr Mat Nanoarchitecton, Tsukuba, JapanChinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Taniguchi, Takashi
Wang, Gang
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Beijing Inst Technol, Sch Phys, Beijing 100081, Peoples R ChinaChinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Wang, Gang
Gu, Changzhi
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Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, Sch Phys Sci, CAS Key Lab Vacuum Phys, Beijing 100190, Peoples R ChinaChinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Gu, Changzhi
Liu, Baoli
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Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, CAS Ctr Excellence Topol Quantum Computat, CAS Key Lab Vacuum Phys, Beijing 100190, Peoples R China
Songshan Lake Mat Lab, Dongguan 523808, Guangdong, Peoples R ChinaChinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
机构:
GanNan Univ Sci & Technol, Dept Human Sci, Ganzhou 341001, Peoples R China
Jiangxi Univ Sci & Technol, Energy Mat Comp Ctr, Sch Energy & Mech Engn, Nanchang 330013, Peoples R ChinaGanNan Univ Sci & Technol, Dept Human Sci, Ganzhou 341001, Peoples R China
Cen, Kangwei
Yan, Shenlang
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GanNan Univ Sci & Technol, Dept Human Sci, Ganzhou 341001, Peoples R ChinaGanNan Univ Sci & Technol, Dept Human Sci, Ganzhou 341001, Peoples R China
Yan, Shenlang
Yang, Ning
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Jiangxi Univ Sci & Technol, Energy Mat Comp Ctr, Sch Energy & Mech Engn, Nanchang 330013, Peoples R ChinaGanNan Univ Sci & Technol, Dept Human Sci, Ganzhou 341001, Peoples R China
Yang, Ning
Dong, Xiansheng
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Jiangxi Univ Sci & Technol, Energy Mat Comp Ctr, Sch Energy & Mech Engn, Nanchang 330013, Peoples R ChinaGanNan Univ Sci & Technol, Dept Human Sci, Ganzhou 341001, Peoples R China
Dong, Xiansheng
Xie, Luzhen
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Jiangxi Univ Sci & Technol, Energy Mat Comp Ctr, Sch Energy & Mech Engn, Nanchang 330013, Peoples R ChinaGanNan Univ Sci & Technol, Dept Human Sci, Ganzhou 341001, Peoples R China
Xie, Luzhen
Long, Mengqiu
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Cent South Univ, Hunan Key Lab Super Microstruct & Ultrafast Proc, Changsha 410083, Peoples R ChinaGanNan Univ Sci & Technol, Dept Human Sci, Ganzhou 341001, Peoples R China
Long, Mengqiu
Chen, Tong
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Jiangxi Univ Sci & Technol, Energy Mat Comp Ctr, Sch Energy & Mech Engn, Nanchang 330013, Peoples R ChinaGanNan Univ Sci & Technol, Dept Human Sci, Ganzhou 341001, Peoples R China