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An accurate three-dimensional potential energy surface for the He-Na_2.complex

Science china Chemistry 2008年第6期51卷 539-544页

作者： wang yue,huang wuying,{2.,anhui Normal university,wuhu 241000,china 1. department of physics Anhui Normal University Wuhu 241000 China

An accurate three-dimensional potential energy surface(PES) for the He-Na2.van der Waals comple was calculated at the coupled cluster singles-and-doubles with noniterative inclusion of connecte triple(CCSD(T)) level of theory.A mixed basis set,aug-cc-pVQZ for the He atom and cc-pCVQZ for th sodium atom,and an additional(3s3p2.1f) set of midbond functions were *** computed inte action energies in 819 configurations were fitted to a 96-parameter analytic potential model by leas squares *** PES has two shallow wells corresponding to the T-shaped structure and the linea configuration,which are located at 12.5a0 and 14 a0 with depths of 1.769 and 1.684 cm-1,respectivel The whole potential energy surface exhibits weak *** on the fitted PES,state-to-stat differential cross sections were calculated.

关键词： van der Waals complex potential energy surface ab initio calculation

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Multifunctional solar-blind ultraviolet photodetectors based on p-PCDTBT/n-Ga_(2.O_(3)heterojunction with high photoresponse

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InfoMat 2024年第2期6卷 118-130页

作者： Yifei wang Zhenhua Lin Jingli Ma Yongyi Wu Haidong Yuan Dongsheng cui Mengyang Kang XingGuo Jie Su Jinshui Miao {2. Shi Tao Li Jincheng Zhang yue Hao Jingjing Chang State Key Discipline Laboratory of Wide Band Gap Semiconductor Technology School of MicroelectronicsXidian UniversityXi'anthe People's Republic of China School of physics and Microelectronics Key Laboratory of Material PhysicsMinistry of EducationZhengzhou UniversityZhengzhouthe People's Republic of China Center for Spintronics and Quantum Systems State Key Laboratory for Mechanical Behavior of MaterialsDepartment of Materials Science and EngineeringXi'an Jiaotong UniversityXi'anthe People's Republic of China Advanced Interdisciplinary Research Center for Flexible Electronics Xidian UniversityXi'anthe People's Republic of China State Key Laboratory of Infrared physics Shanghai Institute of Technical PhysicsChinese Academy of SciencesShanghaithe People's Republic of China

Solar-blind ultraviolet(UV)photodetectors based on p-organic/n-Ga_(2.O_(3) hybrid heterojunctions have attracted extensive attention ***,the multifunctional solar-blind photodetector based on p-type poly[N-90-heptadecanyl-2.7-carbazole-alt-5,5-(40,70-di-2.thienyl-2.,10,30-benzothiadiazole)](PCDTBT)/n-type amorphous Ga_(2.O_(3)(a-Ga_(2.O_(3))is fabricated and investigated,which can work in the phototransistor mode coupling with self-powered *** the introduction of PCDTBT,the dark current of such the a-Ga_(2.O_(3)-based photodetector is decreased to 0.48 ***,the photoresponse parameters of the a-Ga_(2.O_(3)-based photodetector in the phototransistor mode to solar-blind UV light are further increased,that is,responsivity(R),photo-detectivity(D*),and external quantum efficiency(EQE)enhanced to 187 A W^(-1),1.3×10^(16) Jones and 9.1×10^(4)% under the weak light intensity of 11μW cm^(-2.,*** to the formation of the built-in field in the p-PCDTBT/n-Ga_(2.O_(3) type-Ⅱ heterojunction,the PCDTBT/Ga_(2.O_(3) multifunctional photodetector shows self-powered *** responsivity of p-PCDTBT/n-Ga_(2.O_(3) multifunctional photodetector is 57.5 mA W^(-1) at zero *** multifunctional p-n hybrid heterojunction-based photodetectors set the stage for realizing high-performance amorphous Ga_(2.O_(3) heterojunction-based photodetectors.

关键词： amorphous Ga_(2.O_(3) heterojunction multifunctional PCDTBT solar-blind photodetectors

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Rovibrational structure of the Xe-CO complex based on a new three-dimensional ab initio potential

Rovibrational structure of the Xe-CO complex based on a new ...

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第十五届全国原子与分子物理学术会议

作者： eryin feng~+,Yu zhang,Zhongquan {2.,Mei Niu and zhifeng cui department of physics,anhui normal university,wuhu 241000,People’s Republic of china

The first three-dimensional interaction potential energy surface of the Xe-CO complex is developed using the single and double excitation coupled cluster theory with noniterative

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