二维材料过渡金属硫属化物(TMDs),因其优越的物理化学特性及其在光电子器件、光催化等领域的潜在应用价值,得到了人们的广泛关注。基于TMDs材料可以构建具有不同性能的范德华(vdW)异质结,但构建的异质结由于其固有的能带带隙大小限制了...二维材料过渡金属硫属化物(TMDs),因其优越的物理化学特性及其在光电子器件、光催化等领域的潜在应用价值,得到了人们的广泛关注。基于TMDs材料可以构建具有不同性能的范德华(vdW)异质结,但构建的异质结由于其固有的能带带隙大小限制了其在全光谱上的响应,因而对其能带带隙调控变得十分重要。本文基于第一性原理方法系统地研究了WX_2 (X=S, Se, Te)从单层到体相的结构和性质,以及由此组装的vdW异质结构WS_2/WSe_2、WS_2/WTe_2和WSe_2/WTe_2的结构和性质以及应力应变对异质结构的能带带隙的影响。结果表明:结合HSE06泛函和自旋轨道耦合(SOC)效应的计算方案可以精确描述WX_2体系;异质结构WS_2/WSe_2,WS_2/WTe_2和WSe_2/WTe_2呈现type-II能带分类;在施加单轴或双轴的应力应变后,能带带隙大小发生相应改变,当晶格形变大于4%后,异质结构由半导体特性变成具有金属性。这些研究为光电子器件的设计提供了重要的指导意义。展开更多
PbI2/MoS2,as a typical van der Waals(vdW)heterostructure,has attracted intensive attention owing to its remarkable electronic and optoelectronic properties.In this work,the effect of defects on the electronic structur...PbI2/MoS2,as a typical van der Waals(vdW)heterostructure,has attracted intensive attention owing to its remarkable electronic and optoelectronic properties.In this work,the effect of defects on the electronic structures of a PbI2/MoS2 heterointerface has been systematically investigated.The manner in which the defects modulate the band structure of PbI2/MoS2,including the band gap,band edge,band alignment,and defect energy-level density within the band gap is discussed herein.It is shown that sulfur defects tune the band gaps,iodine defects shift the positions of the band edge and Fermi level,and lead defects realize the conversions between the straddling-gap band alignment and valence-band-aligned gap,thus enhancing the light-absorption ability of the material.展开更多
The idea of stacking multiple monolayers of different two-dimensional materials has become a global pursuit. In this work a silicene armchair nanoribbon of width W and van der Waals-bonded to different transition-meta...The idea of stacking multiple monolayers of different two-dimensional materials has become a global pursuit. In this work a silicene armchair nanoribbon of width W and van der Waals-bonded to different transition-metal dichalcogenide （TMD） bilayer substrates MoX2 and WX2, where X = S, Se, Te is considered. The orbital resolved electronic structure and ballistic transport properties of these systems are simulated by employing van der Waals-corrected density functional theory and nonequilibrium Green＇s functions. We find that the lattice mismatch with the underlying substrate determines the electronic structure, correlated with the silicene buckling distortion and ultimately with the contact resistance of the two-terminal system. The smallest lattice mismatch, obtained with the MoTe2 substrate, results in the silicene ribbon properties coming close to those of a freestanding one. With the TMD bilayer acting as a dielectric layer, the electronic structure is tunable from a direct to an indirect semiconducting layer, and subsequently to a metallic electronic dispersion layer, with a moderate applied perpendicular electric field.展开更多
Graphene and transition metal dichalcogenides(TMDs), two-dimensional materials, have been investigated wildely in recent years. As a member of the TMD family, MoTe2 possesses a suitable bandgap of ~1.0 eV for near inf...Graphene and transition metal dichalcogenides(TMDs), two-dimensional materials, have been investigated wildely in recent years. As a member of the TMD family, MoTe2 possesses a suitable bandgap of ~1.0 eV for near infrared(NIR)photodetection. Here we stack the MoTe2 flake with two graphene flakes of high carrier mobility to form a graphene–MoTe2–graphene heterostructure. It exhibits high photo-response to a broad spectrum range from 500 nm to 1300 nm. The photoresponsivity is calculated to be 1.6 A/W for the 750-nm light under 2 V/0 V drain–source/gate bias, and 154 mA/W for the 1100-nm light under 0.5 V/60 V drain–source/gate bias. Besides, the polarity of the photocurrent under zero Vds can be efficiently tuned by the back gate voltage to satisfy different applications. Finally, we fabricate a vertical graphene–MoTe2–graphene heterostructure which shows improved photoresponsivity of 3.3 A/W to visible light.展开更多
Research on two-dimensional(2D) materials and related van der Waals heterostructures(vdWHs) is intense and remains one of the leading topics in condensed matter physics.Lattice vibrations or phonons of a vdWH provide ...Research on two-dimensional(2D) materials and related van der Waals heterostructures(vdWHs) is intense and remains one of the leading topics in condensed matter physics.Lattice vibrations or phonons of a vdWH provide rich information,such as lattice structure,phonon dispersion,electronic band structure and electron–phonon coupling.Here,we provide a mini review on the lattice vibrations in vdWHs probed by Raman spectroscopy.First,we introduced different kinds of vdWHs,including their structures,properties and potential applications.Second,we discussed interlayer and intralayer phonon in twist multilayer graphene and MoS2.The frequencies of interlayer and intralayer modes can be reproduced by linear chain model(LCM)and phonon folding induced by periodical moiré potentials,respectively.Then,we extended LCM to vdWHs formed by distinct 2D materials,such as MoS2/graphene and hBN/WS2 heterostructures.We further demonstrated how to calculate Raman intensity of interlayer modes in vdWHs by interlayer polarizability model.展开更多
Two-dimensional （2D） Van der Waals heterostructures have aroused extensive concerns in recent years. Their fabrica- tion calls for facile and efficient transfer techniques for achieving well-defined structures. In t...Two-dimensional （2D） Van der Waals heterostructures have aroused extensive concerns in recent years. Their fabrica- tion calls for facile and efficient transfer techniques for achieving well-defined structures. In this work, we report a simple and effective dry transfer method to fabricate 2D heterostructures with a clean interface. Using Propylene Carbonate （PC） films as stamps, we are able to pick up various 2D materials flakes from the substrates and unload them to the receiving substrates at an elevated temperature. Various multilayer heterostructures with ultra-clean interfaces were fabricated by this technique. Furthermore, the 2D materials can be pre-pattemed before transfer so as to fabricate desired device structures, demonstrating a facile way to promote the development of 2D heterostructures.展开更多
The rectifying behavior between graphene and semiconductors makes novel type of solar cells, photodetectors and light emitting diodes （LEDs）. The interface between graphene and ZnO is the key for the performance of ...The rectifying behavior between graphene and semiconductors makes novel type of solar cells, photodetectors and light emitting diodes （LEDs）. The interface between graphene and ZnO is the key for the performance of the optoelectronic devices. Herein, we find that green light emission is very strong for the forward biased graphene/ZnO nanowire van der Waals heterostructure. We correlated the green light emission with the surface defects locating at the ZnO nanowire surface through the detailed high resolution transmission electron microscopy and photoluminescence measurements. We pointed out engineering the surface of ZnO nanowires could bring a dimension of designing graphene/ZnO LEDs, which could be extended to other types of graphene/semiconductor heterostructure based optoelectronic devices.展开更多
文摘二维材料过渡金属硫属化物(TMDs),因其优越的物理化学特性及其在光电子器件、光催化等领域的潜在应用价值,得到了人们的广泛关注。基于TMDs材料可以构建具有不同性能的范德华(vdW)异质结,但构建的异质结由于其固有的能带带隙大小限制了其在全光谱上的响应,因而对其能带带隙调控变得十分重要。本文基于第一性原理方法系统地研究了WX_2 (X=S, Se, Te)从单层到体相的结构和性质,以及由此组装的vdW异质结构WS_2/WSe_2、WS_2/WTe_2和WSe_2/WTe_2的结构和性质以及应力应变对异质结构的能带带隙的影响。结果表明:结合HSE06泛函和自旋轨道耦合(SOC)效应的计算方案可以精确描述WX_2体系;异质结构WS_2/WSe_2,WS_2/WTe_2和WSe_2/WTe_2呈现type-II能带分类;在施加单轴或双轴的应力应变后,能带带隙大小发生相应改变,当晶格形变大于4%后,异质结构由半导体特性变成具有金属性。这些研究为光电子器件的设计提供了重要的指导意义。
基金National Natural Science Foundation of China(Grant No.11672079)the National Science Foundation of Beijing(Grant No.2184130)。
文摘PbI2/MoS2,as a typical van der Waals(vdW)heterostructure,has attracted intensive attention owing to its remarkable electronic and optoelectronic properties.In this work,the effect of defects on the electronic structures of a PbI2/MoS2 heterointerface has been systematically investigated.The manner in which the defects modulate the band structure of PbI2/MoS2,including the band gap,band edge,band alignment,and defect energy-level density within the band gap is discussed herein.It is shown that sulfur defects tune the band gaps,iodine defects shift the positions of the band edge and Fermi level,and lead defects realize the conversions between the straddling-gap band alignment and valence-band-aligned gap,thus enhancing the light-absorption ability of the material.
文摘The idea of stacking multiple monolayers of different two-dimensional materials has become a global pursuit. In this work a silicene armchair nanoribbon of width W and van der Waals-bonded to different transition-metal dichalcogenide （TMD） bilayer substrates MoX2 and WX2, where X = S, Se, Te is considered. The orbital resolved electronic structure and ballistic transport properties of these systems are simulated by employing van der Waals-corrected density functional theory and nonequilibrium Green＇s functions. We find that the lattice mismatch with the underlying substrate determines the electronic structure, correlated with the silicene buckling distortion and ultimately with the contact resistance of the two-terminal system. The smallest lattice mismatch, obtained with the MoTe2 substrate, results in the silicene ribbon properties coming close to those of a freestanding one. With the TMD bilayer acting as a dielectric layer, the electronic structure is tunable from a direct to an indirect semiconducting layer, and subsequently to a metallic electronic dispersion layer, with a moderate applied perpendicular electric field.
基金Project supported by the National Natural Science Foundation of China(Grant No.21405109)the Seed Foundation of State Key Laboratory of Precision Measurement Technology and Instruments,China(Pilt No.1710)
文摘Graphene and transition metal dichalcogenides(TMDs), two-dimensional materials, have been investigated wildely in recent years. As a member of the TMD family, MoTe2 possesses a suitable bandgap of ~1.0 eV for near infrared(NIR)photodetection. Here we stack the MoTe2 flake with two graphene flakes of high carrier mobility to form a graphene–MoTe2–graphene heterostructure. It exhibits high photo-response to a broad spectrum range from 500 nm to 1300 nm. The photoresponsivity is calculated to be 1.6 A/W for the 750-nm light under 2 V/0 V drain–source/gate bias, and 154 mA/W for the 1100-nm light under 0.5 V/60 V drain–source/gate bias. Besides, the polarity of the photocurrent under zero Vds can be efficiently tuned by the back gate voltage to satisfy different applications. Finally, we fabricate a vertical graphene–MoTe2–graphene heterostructure which shows improved photoresponsivity of 3.3 A/W to visible light.
基金the National Key Research and Development Program of China (Grant No.2016YFA0301204)the National Natural Science Foundation of China (Grant Nos.11874350 and 11434010)
文摘Research on two-dimensional(2D) materials and related van der Waals heterostructures(vdWHs) is intense and remains one of the leading topics in condensed matter physics.Lattice vibrations or phonons of a vdWH provide rich information,such as lattice structure,phonon dispersion,electronic band structure and electron–phonon coupling.Here,we provide a mini review on the lattice vibrations in vdWHs probed by Raman spectroscopy.First,we introduced different kinds of vdWHs,including their structures,properties and potential applications.Second,we discussed interlayer and intralayer phonon in twist multilayer graphene and MoS2.The frequencies of interlayer and intralayer modes can be reproduced by linear chain model(LCM)and phonon folding induced by periodical moiré potentials,respectively.Then,we extended LCM to vdWHs formed by distinct 2D materials,such as MoS2/graphene and hBN/WS2 heterostructures.We further demonstrated how to calculate Raman intensity of interlayer modes in vdWHs by interlayer polarizability model.
基金supported by the National Basic Research Program of China(Grant Nos.2013CB934500 and 2013CBA01602)the National Natural Science Foundation of China(Grant Nos.61325021,11574361,and 51572289)+1 种基金the Key Research Program of Frontier Sciences,CAS,(Grant No.QYZDB-SSW-SLH004)the Strategic Priority Research Program(B),CAS(Grant No.XDB07010100)
文摘Two-dimensional （2D） Van der Waals heterostructures have aroused extensive concerns in recent years. Their fabrica- tion calls for facile and efficient transfer techniques for achieving well-defined structures. In this work, we report a simple and effective dry transfer method to fabricate 2D heterostructures with a clean interface. Using Propylene Carbonate （PC） films as stamps, we are able to pick up various 2D materials flakes from the substrates and unload them to the receiving substrates at an elevated temperature. Various multilayer heterostructures with ultra-clean interfaces were fabricated by this technique. Furthermore, the 2D materials can be pre-pattemed before transfer so as to fabricate desired device structures, demonstrating a facile way to promote the development of 2D heterostructures.
文摘The rectifying behavior between graphene and semiconductors makes novel type of solar cells, photodetectors and light emitting diodes （LEDs）. The interface between graphene and ZnO is the key for the performance of the optoelectronic devices. Herein, we find that green light emission is very strong for the forward biased graphene/ZnO nanowire van der Waals heterostructure. We correlated the green light emission with the surface defects locating at the ZnO nanowire surface through the detailed high resolution transmission electron microscopy and photoluminescence measurements. We pointed out engineering the surface of ZnO nanowires could bring a dimension of designing graphene/ZnO LEDs, which could be extended to other types of graphene/semiconductor heterostructure based optoelectronic devices.
