The ability to tailor and enhance photoluminescence (PL) behavior in two-dimensional (2D) transition metal dichalcogenides (TMDCs) such as molybdenum disulfide (MoS2) is significant for pursuing optoelectronic applica...The ability to tailor and enhance photoluminescence (PL) behavior in two-dimensional (2D) transition metal dichalcogenides (TMDCs) such as molybdenum disulfide (MoS2) is significant for pursuing optoelectronic applications.To achieve this,it has been essential to obtain high-quality single-layer MoS2 and fully explore its intrinsic PL performance.Here,we fabricate single-layer MoS2 by a thermal vapor sulfurization method in which a pre-deposited molybdenum trioxide (MoO3) thin film is sulfurized over a short period (for several minutes) to turn into MoS2.These as-grown MoS2 crystals show quite strong PL,which is about one order of magnitude higher than that of chemical-vapor-deposited MoS2.Temperature- and power-dependent spectroscopy measurements disclose the apparent influence of sulfur (S) vacancies on the PL behavior and the noticeable free-to-bound exciton recombinations in the luminescence process.The fact that PL intensity of the sample in vacuum sharply lowered down relative to in air reveals that the high PL is facilitated by molecular adsorption on S vacancies in air.And multi-channel decay processes coupled with S vacancies are revealed in the time-resolved PL spectroscopy.In our work,single-layer MoS2 with high PL is synthesized and its defect-induced PL features are analyzed,which is of great importance for developing advanced nano-electronics and optoelectronics based on 2D structures.展开更多
The electronic structures of a MoS2 monolayer are investigated with the all-electron first principle calculations based on the density functional theory （DFT） and the spin-orbital couplings （SOCs）. Ore＂ results s...The electronic structures of a MoS2 monolayer are investigated with the all-electron first principle calculations based on the density functional theory （DFT） and the spin-orbital couplings （SOCs）. Ore＂ results show that the monolayer MoS2 is a direct band gap semiconductor with a band gap of 1.8 eV. The SOCs and d-electrons in Mo play a very significant role in deciding its electronic and optical properties. Moreover, electronic elementary excitations are studied theoretically within the diagram- matic self-consistent field theory. Under random phase approximation, it shows that two branches of plasmon modes can be achieved via the conduction-band transitions due to the SOCs, which are different from the plasmons in a two-dimensional electron gas and graphene owing to the quasi-linear energy dispersion in single-layer MoS2. Moreover, the strong optical absorption up to 105 cm-1 and two optical absorption edges I and II can be observed. This study is relevant to the applications of monolayer MoS2 as an advanced photoelectronic device.展开更多
Because of the coupling between semiconducting and piezoelectric properties in wurtzite materials, strain-induced piezo-charges can tune the charge transport across the interface or junction, which is referred to as t...Because of the coupling between semiconducting and piezoelectric properties in wurtzite materials, strain-induced piezo-charges can tune the charge transport across the interface or junction, which is referred to as the piezotronic effect. For devices whose dimension is much smaller than the mean free path of carriers （such as a single atomic layer of MoS2）, ballistic transport occurs. In this study, transport in the monolayer MoS2 piezotronic transistor is studied by presenting analytical solutions for two-dimensional （2D） MoS2. Furthermore, a numerical simulation for guiding future 2D piezotronic nanodevice design is presented.展开更多
Free vibration of elastically constrained rectangular single-layered M0S_(2)is investigated by using a nonlocal Kirchhoff plate model with an initial stress.The variationally consistent elastically constrained boundar...Free vibration of elastically constrained rectangular single-layered M0S_(2)is investigated by using a nonlocal Kirchhoff plate model with an initial stress.The variationally consistent elastically constrained boundary conditions are obtained by using the weighted residual method,while the governing equations of the nonlocal Kirchhoff plate model are known.A modified Fourier series method is applied to study the vibrational behaviors of elastically constrained nonlocal Kirchhoff plate models.The convergence and reliability of the modified Fourier series method is verified via comparison with the finite element method.A comprehensive parametric study is performed to show the influences of the boundary elastic constant,nonlocal parameter and initial stress on the vibrational behaviors of single-layered M0S2.The results should be good for the design of nanoresonators.展开更多
MXenes,a family of two-dimensional(2D)materials,exhibit peculiar microwave-absorbing behaviors due to their unique chemical composition and structure.Although laminated Ti_(3)C_(2)T_(x) MXenes with a multilayer struct...MXenes,a family of two-dimensional(2D)materials,exhibit peculiar microwave-absorbing behaviors due to their unique chemical composition and structure.Although laminated Ti_(3)C_(2)T_(x) MXenes with a multilayer structure have been used for microwave absorption,real 2D MXenes with a single-layer structure have not yet been investigated.Here,the electromagnetic wave response behavior of single-layer Ti_(3)C_(2)T_(x) MXenes was explored in detail.The permittivity of Ti_(3)C_(2)T_(x) MXene rises dramatically with an increase in filler loading,and Ti_(3)C_(2)T_(x) MXene features a distinct dielectric response wherein dipolar polarization and interfacial polarization makes a greater contribution at low filler loading;conductive loss becomes more prominent at high filler loading.Versus laminated Ti_(3)C_(2)T_(x) MXene,single-layer Ti_(3)C_(2)T_(x) MXene delivers superior absorbing capability:The RLminvalue of SL-Ti_(3)C_(2)T_(x)-22%reaches-43.5 d B at 6.5 GHz,and a broad EAB of 6.88 GHz can be attained at a thickness of 1.8 mm due to enhanced dipolar polarization,interfacial polarization,and conductive loss.This work is of great significance in guiding the future development of MXene-based absorbers.展开更多
Herein,a simple and effective outer-surface interactions assisted supramolecular hierarchical assembly has been first exploited to uniformly distribute tungstosilicic acid(TSA)inside the porous structure of cucurbit[1...Herein,a simple and effective outer-surface interactions assisted supramolecular hierarchical assembly has been first exploited to uniformly distribute tungstosilicic acid(TSA)inside the porous structure of cucurbit[10]uril-based single-layer 2D supramolecular-organic-frameworks(Q[10]-SOFs)in water.Importantly,the 2D Q[10]-SOFs can further serve as light harvesting antenna,achieving fast energy transfer to the embedded redox-active TSA upon photoexcitation,resulting in efficient visible light-driven selective oxidation of benzyl alcohols into the corresponding aldehydes in high yield at room temperature.Further studies revealed that the integrated of 2D Q[10]-SOFs and TSA played a key role in the catalytic process,due to the presence of a novel stepwise electron transfer route in the single-layer hybrid 2D structures.展开更多
Heterojunction and morphology control assume a significant part in adjusting the intrinsic electromagnetic properties of absorbers to acquire outstanding microwave absorption(MA)performance,but this still faces huge c...Heterojunction and morphology control assume a significant part in adjusting the intrinsic electromagnetic properties of absorbers to acquire outstanding microwave absorption(MA)performance,but this still faces huge challenges.Herein,FeS_(2)/C/MoS_(2)composite with core–shell structure was successfully designed and prepared via a multi-interface engineering.MoS_(2)nanosheets with 1T and 2H phases are coated on the outside of FeS_(2)/C to form a porous interconnected structure that can optimize the impedance matching characteristics and strengthen the interfacial polarization loss capacity.Remarkably,as-fabricated FCM-3 harvests a broad effective absorption bandwidth(EAB)of 5.12 GHz and a minimum reflection loss(RL_(min))value of-45.1 d B.Meanwhile,FCM-3 can accomplish a greatest radar cross section(RCS)reduction value of 18.52 d B m^(2)when the detection angle is 0°.Thus,the convenient computer simulation technology(CST)simulations and encouraging accomplishments provide a novel avenue for the further development of efficient and lightweight MA materials.展开更多
Metal–insulator–semiconductor(MOS) capacitor is a key structure for high performance MOS field transistors(MOSFETs), requiring low leakage current, high breakdown voltage, and low interface states. In this paper, β...Metal–insulator–semiconductor(MOS) capacitor is a key structure for high performance MOS field transistors(MOSFETs), requiring low leakage current, high breakdown voltage, and low interface states. In this paper, β-Ga_(2)O_(3) MOS capacitors were fabricated with ALD deposited Al_(2)O_(3) using H_(2)O or ozone(O_(3)) as precursors. Compared with the Al_(2)O_(3) gate dielectric with H_(2)O as ALD precursor, the leakage current for the O_(3) precursor case is decreased by two orders of magnitude, while it keeps the same level at the fixed charges, interface state density, and border traps. The SIMS tests show that Al_(2)O_(3) with O_(3) as precursor contains more carbon impurities. The current transport mechanism analysis suggests that the C–H complex in Al_(2)O_(3) with O_(3) precursor serves as deep energy trap to reduce the leakage current. These results indicate that the Al_(2)O_(3)/β-Ga_(2)O_(3)MOS capacitor using the O_(3) precursor has a low leakage current and holds potential for application in β-Ga_(2)O_(3) MOSFETs.展开更多
基于密度泛函理论的第一性原理方法,计算了Se掺杂单层MoS_2能带结构和光吸特性,并分析了对其光解水性质的影响。结果表明:本征单层MoS_2为直接带隙结构,禁带宽度为1.740 e V,导带底电位在H+/H2还原势之上0.430 e V,价带顶电位在O2/H2O...基于密度泛函理论的第一性原理方法,计算了Se掺杂单层MoS_2能带结构和光吸特性,并分析了对其光解水性质的影响。结果表明:本征单层MoS_2为直接带隙结构,禁带宽度为1.740 e V,导带底电位在H+/H2还原势之上0.430 e V,价带顶电位在O2/H2O的氧化势之下0.080 e V,具有可见光催化分解水的能力,但氧化和还原能力不均衡,导致单层MoS_2作为光催化剂分解水的效率不高。通过Se掺杂计算发现,单层MoS_2的禁带宽度变为1.727 e V,相应的光吸收谱变化幅度几乎不变,且体系的形成能较低,表明其热力学稳定性良好。然而,导带底电位调整到H+/H2还原势之上0.253 e V,价带顶电位处于O2/H2O的氧化势之下0.244e V,平衡了氧化与还原能力,单层MoS_2可见光催化分解水的效率得到提高。展开更多
基金supported by the National Natural Science Foundation of China (No.51672005)the National Key R&D Program of China (No.2016YFE0127300).
文摘The ability to tailor and enhance photoluminescence (PL) behavior in two-dimensional (2D) transition metal dichalcogenides (TMDCs) such as molybdenum disulfide (MoS2) is significant for pursuing optoelectronic applications.To achieve this,it has been essential to obtain high-quality single-layer MoS2 and fully explore its intrinsic PL performance.Here,we fabricate single-layer MoS2 by a thermal vapor sulfurization method in which a pre-deposited molybdenum trioxide (MoO3) thin film is sulfurized over a short period (for several minutes) to turn into MoS2.These as-grown MoS2 crystals show quite strong PL,which is about one order of magnitude higher than that of chemical-vapor-deposited MoS2.Temperature- and power-dependent spectroscopy measurements disclose the apparent influence of sulfur (S) vacancies on the PL behavior and the noticeable free-to-bound exciton recombinations in the luminescence process.The fact that PL intensity of the sample in vacuum sharply lowered down relative to in air reveals that the high PL is facilitated by molecular adsorption on S vacancies in air.And multi-channel decay processes coupled with S vacancies are revealed in the time-resolved PL spectroscopy.In our work,single-layer MoS2 with high PL is synthesized and its defect-induced PL features are analyzed,which is of great importance for developing advanced nano-electronics and optoelectronics based on 2D structures.
基金This work was supported by the National Natural Science Foundation of China （Grant Nos. 11604380, 11774416 and 11574319）, and the Provincial Natural Science Foun- dation of Jiangsu （Grant No. BK20151138）.
文摘The electronic structures of a MoS2 monolayer are investigated with the all-electron first principle calculations based on the density functional theory （DFT） and the spin-orbital couplings （SOCs）. Ore＂ results show that the monolayer MoS2 is a direct band gap semiconductor with a band gap of 1.8 eV. The SOCs and d-electrons in Mo play a very significant role in deciding its electronic and optical properties. Moreover, electronic elementary excitations are studied theoretically within the diagram- matic self-consistent field theory. Under random phase approximation, it shows that two branches of plasmon modes can be achieved via the conduction-band transitions due to the SOCs, which are different from the plasmons in a two-dimensional electron gas and graphene owing to the quasi-linear energy dispersion in single-layer MoS2. Moreover, the strong optical absorption up to 105 cm-1 and two optical absorption edges I and II can be observed. This study is relevant to the applications of monolayer MoS2 as an advanced photoelectronic device.
基金This work was supported by the ＂thousands talents＂ program for pioneer researcher and his innovation team, China, the National Natural Science Foundation of China （No. 51432005）, and Beijing Municipal Commission of Science and Technology （Nos. Z131100006013005 and Z131100006013004）.
文摘Because of the coupling between semiconducting and piezoelectric properties in wurtzite materials, strain-induced piezo-charges can tune the charge transport across the interface or junction, which is referred to as the piezotronic effect. For devices whose dimension is much smaller than the mean free path of carriers （such as a single atomic layer of MoS2）, ballistic transport occurs. In this study, transport in the monolayer MoS2 piezotronic transistor is studied by presenting analytical solutions for two-dimensional （2D） MoS2. Furthermore, a numerical simulation for guiding future 2D piezotronic nanodevice design is presented.
基金We gratefully acknowledge the support from the Natural Science Foundation of Chongqing(cstc2020jcyj-msxmX0037)State Key Laboratory of Mechanics and Control of Mechanical Structures(Nanjing University of Aeronautics and astronautics)under Grants MCMS-E-0120G01National Natural Science Foundation of China under Grants Nos.11925205 and 51921003,and the Fundamental Research Funds for the Central Universities of China.
文摘Free vibration of elastically constrained rectangular single-layered M0S_(2)is investigated by using a nonlocal Kirchhoff plate model with an initial stress.The variationally consistent elastically constrained boundary conditions are obtained by using the weighted residual method,while the governing equations of the nonlocal Kirchhoff plate model are known.A modified Fourier series method is applied to study the vibrational behaviors of elastically constrained nonlocal Kirchhoff plate models.The convergence and reliability of the modified Fourier series method is verified via comparison with the finite element method.A comprehensive parametric study is performed to show the influences of the boundary elastic constant,nonlocal parameter and initial stress on the vibrational behaviors of single-layered M0S2.The results should be good for the design of nanoresonators.
基金the Natural Science Basic Research Plan in Shaanxi Province of China(Nos.2021JQ-190,2020JM-82)the Fundamental Research Funds for the Central Universities(No.QTZX2146)。
文摘MXenes,a family of two-dimensional(2D)materials,exhibit peculiar microwave-absorbing behaviors due to their unique chemical composition and structure.Although laminated Ti_(3)C_(2)T_(x) MXenes with a multilayer structure have been used for microwave absorption,real 2D MXenes with a single-layer structure have not yet been investigated.Here,the electromagnetic wave response behavior of single-layer Ti_(3)C_(2)T_(x) MXenes was explored in detail.The permittivity of Ti_(3)C_(2)T_(x) MXene rises dramatically with an increase in filler loading,and Ti_(3)C_(2)T_(x) MXene features a distinct dielectric response wherein dipolar polarization and interfacial polarization makes a greater contribution at low filler loading;conductive loss becomes more prominent at high filler loading.Versus laminated Ti_(3)C_(2)T_(x) MXene,single-layer Ti_(3)C_(2)T_(x) MXene delivers superior absorbing capability:The RLminvalue of SL-Ti_(3)C_(2)T_(x)-22%reaches-43.5 d B at 6.5 GHz,and a broad EAB of 6.88 GHz can be attained at a thickness of 1.8 mm due to enhanced dipolar polarization,interfacial polarization,and conductive loss.This work is of great significance in guiding the future development of MXene-based absorbers.
基金supported by the National Natural Science Foundation of China(No.22271090)。
文摘Herein,a simple and effective outer-surface interactions assisted supramolecular hierarchical assembly has been first exploited to uniformly distribute tungstosilicic acid(TSA)inside the porous structure of cucurbit[10]uril-based single-layer 2D supramolecular-organic-frameworks(Q[10]-SOFs)in water.Importantly,the 2D Q[10]-SOFs can further serve as light harvesting antenna,achieving fast energy transfer to the embedded redox-active TSA upon photoexcitation,resulting in efficient visible light-driven selective oxidation of benzyl alcohols into the corresponding aldehydes in high yield at room temperature.Further studies revealed that the integrated of 2D Q[10]-SOFs and TSA played a key role in the catalytic process,due to the presence of a novel stepwise electron transfer route in the single-layer hybrid 2D structures.
基金financially supported by the National Natural Science Foundation of China(Nos.52402354,62174016 and 12374394)China Postdoctoral Science Foundation(Nos.2023M740471)the Natural Science Foundation of Jiangsu Higher Education Institutions(Nos.24KJB430002)。
文摘Heterojunction and morphology control assume a significant part in adjusting the intrinsic electromagnetic properties of absorbers to acquire outstanding microwave absorption(MA)performance,but this still faces huge challenges.Herein,FeS_(2)/C/MoS_(2)composite with core–shell structure was successfully designed and prepared via a multi-interface engineering.MoS_(2)nanosheets with 1T and 2H phases are coated on the outside of FeS_(2)/C to form a porous interconnected structure that can optimize the impedance matching characteristics and strengthen the interfacial polarization loss capacity.Remarkably,as-fabricated FCM-3 harvests a broad effective absorption bandwidth(EAB)of 5.12 GHz and a minimum reflection loss(RL_(min))value of-45.1 d B.Meanwhile,FCM-3 can accomplish a greatest radar cross section(RCS)reduction value of 18.52 d B m^(2)when the detection angle is 0°.Thus,the convenient computer simulation technology(CST)simulations and encouraging accomplishments provide a novel avenue for the further development of efficient and lightweight MA materials.
基金Project supported in part by the Science and Technology Development Plan Project of Jilin Province, China (Grant No. YDZJ202303CGZH022)the National Key Research and Development Program of China (Grant No. 2024YFE0205300)+1 种基金the National Natural Science Foundation of China (Grant No. 62471504)the Open Fund of the State Key Laboratory of Optoelectronic Materials and Technologies (Sun Yat-Sen University) (Grant No. OEMT-2023KF-05)。
文摘Metal–insulator–semiconductor(MOS) capacitor is a key structure for high performance MOS field transistors(MOSFETs), requiring low leakage current, high breakdown voltage, and low interface states. In this paper, β-Ga_(2)O_(3) MOS capacitors were fabricated with ALD deposited Al_(2)O_(3) using H_(2)O or ozone(O_(3)) as precursors. Compared with the Al_(2)O_(3) gate dielectric with H_(2)O as ALD precursor, the leakage current for the O_(3) precursor case is decreased by two orders of magnitude, while it keeps the same level at the fixed charges, interface state density, and border traps. The SIMS tests show that Al_(2)O_(3) with O_(3) as precursor contains more carbon impurities. The current transport mechanism analysis suggests that the C–H complex in Al_(2)O_(3) with O_(3) precursor serves as deep energy trap to reduce the leakage current. These results indicate that the Al_(2)O_(3)/β-Ga_(2)O_(3)MOS capacitor using the O_(3) precursor has a low leakage current and holds potential for application in β-Ga_(2)O_(3) MOSFETs.
文摘基于密度泛函理论的第一性原理方法,计算了Se掺杂单层MoS_2能带结构和光吸特性,并分析了对其光解水性质的影响。结果表明:本征单层MoS_2为直接带隙结构,禁带宽度为1.740 e V,导带底电位在H+/H2还原势之上0.430 e V,价带顶电位在O2/H2O的氧化势之下0.080 e V,具有可见光催化分解水的能力,但氧化和还原能力不均衡,导致单层MoS_2作为光催化剂分解水的效率不高。通过Se掺杂计算发现,单层MoS_2的禁带宽度变为1.727 e V,相应的光吸收谱变化幅度几乎不变,且体系的形成能较低,表明其热力学稳定性良好。然而,导带底电位调整到H+/H2还原势之上0.253 e V,价带顶电位处于O2/H2O的氧化势之下0.244e V,平衡了氧化与还原能力,单层MoS_2可见光催化分解水的效率得到提高。
