The hydrogenation of carbon dioxide(CO_(2))to produce chemicals and transportation liquid fuels in huge demand via heterogeneous thermochemical catalysis achieved using renewable energy has received increasing attenti...The hydrogenation of carbon dioxide(CO_(2))to produce chemicals and transportation liquid fuels in huge demand via heterogeneous thermochemical catalysis achieved using renewable energy has received increasing attention,and substantial advances have been made in this research field in recent years.In this study,we summarize our progress in the rational design and construction of highly efficient catalysts for CO_(2) hydrogenation to methanol,lower olefins,aromatics,and gasolineand jet fuel-range hydrocarbons.The structure‐performance relationship,nature of the active sites,and mechanism of the reactions occurring over these catalysts are explored by combining computational and experimental evidence.The results of this study will promote further fundamental studies and industrial applications of heterogeneous catalysts for CO_(2) hydrogenation to produce bulk chemicals and liquid fuels.展开更多
New global three dimensional potential energy surfaces for the Cl＋H2 reactive system have been constructed using accurate multireference configuration interaction calculations with a large basis set. The three lowest...New global three dimensional potential energy surfaces for the Cl＋H2 reactive system have been constructed using accurate multireference configuration interaction calculations with a large basis set. The three lowest adiabatic potential energy surfaces correlating asymptotically with Cl（^2p）＋H2 have been transformed to adiabatic representation, which leads to a fourth coupling potential for non-linear geometries. In addition, the spin-orbit coupling surfaces have also been computed using the Breit-Pauli Hamiltonian. Properties of the new potential are described. Reaction dynamics based on the new potential agrees with the recent experimental results quite well.展开更多
The coupling-wave equations of photorefractive wave mixing processes including two-and four-wave mixing are expressed as an unified matrix equation in the undepleted pump approximation.The lossless general solution of...The coupling-wave equations of photorefractive wave mixing processes including two-and four-wave mixing are expressed as an unified matrix equation in the undepleted pump approximation.The lossless general solution of the matrix equation is obtained.The previous formulas of five wave-mixing processes in the undepleted pump are derived from the solution when their boundary conditions are used.展开更多
By combining trans-4-styrylprydine （tsp） with azide system, we obtained two rare 1D cis-EE-azido-bridged compounds of [Mz（N3）4（tsp）4（H2O）2] [M = Mn （1）, Co （2）]. The magnetic study reveals that metal ions ...By combining trans-4-styrylprydine （tsp） with azide system, we obtained two rare 1D cis-EE-azido-bridged compounds of [Mz（N3）4（tsp）4（H2O）2] [M = Mn （1）, Co （2）]. The magnetic study reveals that metal ions are anti-ferromagnetically coupled by cis-EE-azido-bridges and they show weak ferromagnetism below 4.0 K （1） and 4.2 K （2） due to the spin-canting caused by asymmetric magnetic interaction.展开更多
Blue top-emitting organic light-emitting devices （TEOLEDs） are demonstrated by employing Alq3 as phase shift adjustment layer （PSAL） to increase the phase shift on reflection of the top electrode within a range, w...Blue top-emitting organic light-emitting devices （TEOLEDs） are demonstrated by employing Alq3 as phase shift adjustment layer （PSAL） to increase the phase shift on reflection of the top electrode within a range, which also improves the light out-coupling. By adjusting the thickness of P SAL, the CIEx,y of devices, which utilize 2, 7-Di-pyrenyl-9, 9-spiro-bifluorene （DPSF） as emitting layer, changes from （0.16, 0.50） to （0.18, 0.37）. The maximnum current efficiency of 7.1 cd/A is acquired under 4.5 V with an increasing luminance of 139 cd/m^2. Compared with adjusting the total thickness of organic layer, it is more beneficial for achieving blue TEOLEDs with high efficiency.展开更多
The ever-decreasing size of transistors requires effectively electrostatic control over ultra-thin semiconductor body.Rational design of the gate configuration can fully persevere the intrinsic property of two-dimensi...The ever-decreasing size of transistors requires effectively electrostatic control over ultra-thin semiconductor body.Rational design of the gate configuration can fully persevere the intrinsic property of two-dimensional(2 D)semiconductors.Here we design and demonstrate a 2 D Mo S_(2) transistor with omega-shaped gate,in which the local gate coupling is enhanced by the non-planar geometry.The omega-shaped non-planar transistors exhibit a high current of 0.89 A/lm and transconductance of32.7 l S/lm.The high performance and desirable current saturation promise the construction of robust logic gate.The inverters show a voltage gain of 26.6 and an ideal total margin nearly 89%.We also assemble NOT-AND(NAND)gate on an individual Mo S_(2) flake,and the constructed NAND gate demonstrates the universal functionality of the transistors as well.This work provides an alternative strategy to fully take the advantages of 2 D materials for high-performance field-effect transistors.展开更多
We investigate theoretically single photon transport properties in coupled-resonator waveguide coupling with a nanocavity interacting with an external mirror. By using the discrete coordinates approach, transmission a...We investigate theoretically single photon transport properties in coupled-resonator waveguide coupling with a nanocavity interacting with an external mirror. By using the discrete coordinates approach, transmission and reflection amplitudes of the propagating single photon in the waveguide are obtained. The influence of the coupling strength between the nanocavity and the external mirror on the single photon scattering spectra is discussed. We also extend the results to the waveguide with linear and quadratic form dispersion relations.展开更多
文摘The hydrogenation of carbon dioxide(CO_(2))to produce chemicals and transportation liquid fuels in huge demand via heterogeneous thermochemical catalysis achieved using renewable energy has received increasing attention,and substantial advances have been made in this research field in recent years.In this study,we summarize our progress in the rational design and construction of highly efficient catalysts for CO_(2) hydrogenation to methanol,lower olefins,aromatics,and gasolineand jet fuel-range hydrocarbons.The structure‐performance relationship,nature of the active sites,and mechanism of the reactions occurring over these catalysts are explored by combining computational and experimental evidence.The results of this study will promote further fundamental studies and industrial applications of heterogeneous catalysts for CO_(2) hydrogenation to produce bulk chemicals and liquid fuels.
基金V. ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China （No.20725312 and No.20533060） and the Ministry of Science and Technology （No.2007CB815201）.
文摘New global three dimensional potential energy surfaces for the Cl＋H2 reactive system have been constructed using accurate multireference configuration interaction calculations with a large basis set. The three lowest adiabatic potential energy surfaces correlating asymptotically with Cl（^2p）＋H2 have been transformed to adiabatic representation, which leads to a fourth coupling potential for non-linear geometries. In addition, the spin-orbit coupling surfaces have also been computed using the Breit-Pauli Hamiltonian. Properties of the new potential are described. Reaction dynamics based on the new potential agrees with the recent experimental results quite well.
文摘The coupling-wave equations of photorefractive wave mixing processes including two-and four-wave mixing are expressed as an unified matrix equation in the undepleted pump approximation.The lossless general solution of the matrix equation is obtained.The previous formulas of five wave-mixing processes in the undepleted pump are derived from the solution when their boundary conditions are used.
基金financially supported by the National Natural Science Foundation of China (20801006, 21171023)
文摘By combining trans-4-styrylprydine （tsp） with azide system, we obtained two rare 1D cis-EE-azido-bridged compounds of [Mz（N3）4（tsp）4（H2O）2] [M = Mn （1）, Co （2）]. The magnetic study reveals that metal ions are anti-ferromagnetically coupled by cis-EE-azido-bridges and they show weak ferromagnetism below 4.0 K （1） and 4.2 K （2） due to the spin-canting caused by asymmetric magnetic interaction.
文摘Blue top-emitting organic light-emitting devices （TEOLEDs） are demonstrated by employing Alq3 as phase shift adjustment layer （PSAL） to increase the phase shift on reflection of the top electrode within a range, which also improves the light out-coupling. By adjusting the thickness of P SAL, the CIEx,y of devices, which utilize 2, 7-Di-pyrenyl-9, 9-spiro-bifluorene （DPSF） as emitting layer, changes from （0.16, 0.50） to （0.18, 0.37）. The maximnum current efficiency of 7.1 cd/A is acquired under 4.5 V with an increasing luminance of 139 cd/m^2. Compared with adjusting the total thickness of organic layer, it is more beneficial for achieving blue TEOLEDs with high efficiency.
基金supported by the National Key Research and Development Program of China(2018YFA0703704 and2018YFB0406603)China National Funds for Distinguished Young Scientists(61925403)+2 种基金the National Natural Science Foundation of China(61851403,51872084,61704052,61811540408,and61704051)the Strategic Priority Research Program of Chinese Academy of Sciences(XDB30000000)in partly by the Key Research and Development Plan of Hunan Province(2018GK2064)。
文摘The ever-decreasing size of transistors requires effectively electrostatic control over ultra-thin semiconductor body.Rational design of the gate configuration can fully persevere the intrinsic property of two-dimensional(2 D)semiconductors.Here we design and demonstrate a 2 D Mo S_(2) transistor with omega-shaped gate,in which the local gate coupling is enhanced by the non-planar geometry.The omega-shaped non-planar transistors exhibit a high current of 0.89 A/lm and transconductance of32.7 l S/lm.The high performance and desirable current saturation promise the construction of robust logic gate.The inverters show a voltage gain of 26.6 and an ideal total margin nearly 89%.We also assemble NOT-AND(NAND)gate on an individual Mo S_(2) flake,and the constructed NAND gate demonstrates the universal functionality of the transistors as well.This work provides an alternative strategy to fully take the advantages of 2 D materials for high-performance field-effect transistors.
基金Supported by the National Natural Science Foundation of China under Grant Nos.11105001 and 61472282the Anhui Provincial Natural Science Foundation under Grant Nos.1408085QA22,1608085MA09,and 1508085MF129
文摘We investigate theoretically single photon transport properties in coupled-resonator waveguide coupling with a nanocavity interacting with an external mirror. By using the discrete coordinates approach, transmission and reflection amplitudes of the propagating single photon in the waveguide are obtained. The influence of the coupling strength between the nanocavity and the external mirror on the single photon scattering spectra is discussed. We also extend the results to the waveguide with linear and quadratic form dispersion relations.
