检索结果-南通市图书馆

Valence orbitals of W(CO)_6 using electron momentum spectroscopy

在线全文

学校读者我要写书评

暂无评论

Chinese physics B 2011年第11期20卷 206-214页

作者：石砳磊刘昆罗志宏宁传刚邓景康 department of physics and state key laboratory of low-dimensional quantum physics Tsinghua University

The binding energy spectra and the momentum distributions of the outer valence orbitals of W（CO）6 have been studied by using electron momentum spectroscopy as well as non-relativistic, scalar relativistic and spin-orbital relativistic DFT-B3LYP calculations. The experimental momentum profiles of the outer valence orbitals obtained with the impact energies of 1200 eV and 2400 eV were compared with various theoretical calculation results. The relativistic calculations could provide better descriptions for the experimental momentum distributions than the non-relativistic ones. Moreover, a new ordering of orbitals 10tlu, 3t2g, and 7eg, i.e., 10t_lu 〈 3t_2g 〈7e_g 〈10a_lg, is established in this work.

关键词： W(CO)6 electron momentum spectroscopy relativistic effects

Orbital Dilution Effect on Structural and Magnetic Properties of Fe1-xMnxV2O4

在线全文

学校读者我要写书评

暂无评论

Chinese physics Letters 2015年第2期32卷 135-138页

作者：赵克寒王宇航石晓兰刘娜张留碗 state key laboratory of low-dimensional quantum physics Department of PhysicsTsinghua University

Structural and magnetic properties are investigated for Fe1-xMnxV2O4 （0≤ x ≤ 1） spinels. As orbital-active Fe^2＋ is substituted with Mn^2＋, the cubie-to-tetragonM transition TsI and the tetragonal-to-orthorhombic transition Ts2 gradually decrease. These structural transitions originate from the Fe^2＋ ferro-orbital order （F-OO）. Below Yafet-Kittel （YK） magnetic transition TN2, V^3＋ orbital order （V-OO） plays an important role on global structure. Here x = 0.6 is a critical point. Fe^2＋ F-OO and V^3＋ F-OO coexist for 0 ≤ x ≤ 0.5. For x≥ 0.6, the orbital pattern of V^3＋ is antiferro （AF）-00, and Fe^2＋ F-OO disappears. Structural transition Ts3, accompanied by YK magnetic transition TN2, decreases initially, and then increases at x = 0.6. A scenario for the complex phase diagram arising from the cooperation or competition of Fe^2＋ and V^3＋ orbitals is proposed.

关键词： Orbital Dilution Effect on Structural and Magnetic Properties of Fe x)MnxV2O4 As OO Mn

Electron momentum spectroscopy of NF_3

在线全文

学校读者我要写书评

暂无评论

Chinese physics B 2014年第11期23卷 273-279页

作者：李嘉明苗雨润邓景康宁传刚 department of physics State Key Laboratory of Low-Dimensional Quantum Physics Tsinghua University Collaborative Innovation Center of quantum Matter

The electronic structure of nitrogen trifluoride was investigated by combining the high-resolution electron momentum spectroscopy with the high-level calculations. The experimental binding energy spectra and the momentum distributions of each orbital were compared with the results of Hartree-Fock, density functional theory （DFT）, and symmetry-adapted- cluster configuration-interaction （SAC-CI） methods. SAC-CI and DFT-B3LYP with the aug-cc-pVTZ basis set can well reproduce the binding energy spectra and the observed momentum distributions of the valence orbitals except 1 a2 and 4e orbitals. It was found that the calculated momentum distributions using DFT-B3LYP are even better than those using the high-level SAC-CI method.

关键词： electron momentum spectroscopy Dyson orbital NF3 symmetry-adapted-cluster configuration-interaction (SAC-CI) method

A flexible artificial solid-electrolyte interlayer supported by compactness-tailored carbon nanotube network for dendrite-free lithium metal anode

在线全文

学校读者我要写书评

暂无评论

Journal of Energy Chemistry 2022年第6期31卷 421-427,I0012页

作者： Haowen Liu Jifang Zhang Yang Liu Yang Wei Shuaiyang Ren Ludi Pan Yi Su Jianhua Xiao Haiyan Fan Yitao Lin Yipeng Su Yuegang Zhang state key laboratory of low-dimensional quantum physics and department of physics Tsinghua UniversityBeijing 100084China

A dendrite-free lithium metal anode requires a stable interface designed for efficient and reversible lithium plating and stripping. In this work, we have devised a mechanically flexible artificial Li_(3)N solid-electrolyte interlayer supported by a dual-layer compactness-tailored carbon nanotube fiber network. The more compact side of the network ensures a full coverage of Li_(3)N, which prevents the reaction between electrolyte and lithium. The other side, with sparsely distributed nanotube fibers, provides mechanical flexibility for the film, and induces three-dimensional lithium deposition along its structure without any dendrite formation. The resulting full cell with NCM811 cathode has a high capacity retention of 95.1% for 160 cycles compared with less than 80% for the control.

关键词： Lithium metal anode Artificial SEI CNT network 3D deposition

Compact ultra-narrowband superconducting filter using N-spiral resonator with open-loop secondary coupling structure

在线全文

学校读者我要写书评

暂无评论

Chinese physics B 2020年第6期29卷 553-558页

作者： Lin Tao Bin Wei Xubo Guo Hongcheng Li Chenjie Luo Bisong Cao Linan Jiang state key laboratory of low-dimensional quantum physics Department of PhysicsTsinghua UniversityBeijing 100084China

A novel N-spiral resonator with open-loop secondary coupling structure(OLSCS) is proposed to realize a compact ultra-narrowband high temperature superconducting(HTS) filter. The coupling strength and polarity between the resonators can be significantly reduced and changed by introducing OLSCS, thus the required weak coupling can be achieved in a very compact size. A six-pole superconducting filter at 1701 MHz with a fractional bandwidth of 0.19% is designed to validate this method. The filter is fabricated on Mg O substrate with a compact size of 15 mm × 10 mm. The measured insertion loss is 0.79 d B, and the return loss is better than 17.4 d B. The experimental results show a good agreement with the simulations.

关键词： bandpass filters high temperature superconducting(HTS) microstrip ultra-narrowband

Tailoring Mg^(2+)Solvation Structure in a Facile All-Inorganic[Mg_(x)Li_(y)Cl2_(x+y)·nTHF]Complex Electrolyte for High Rate and Long Cycle-Life Mg Battery

在线全文

学校读者我要写书评

暂无评论

Energy & Environmental Materials 2023年第2期6卷 152-158页

作者： Haiyan Fan Xinxin Zhang Yuxing Zhao Jianhua Xiao Hua Yuan Guang Wang Yitao Lin Jifang Zhang Ludi Pan Ting Pan Yang Liu Yuegang Zhang state key laboratory of low-dimensional quantum physics Department of PhysicsTsinghua UniversityBeijing 100084China

A high-performance all-inorganic magnesium-lithium chloride complex(MLCC)electrolyte is synthesized by a simple room-temperature reaction of LiCl with MgCl_(2) in tetrahydrofuran(THF)*** dynamics simulation,density functional theory calculation,Raman spectroscopy,and nuclear magnetic resonance spectroscopy reveal that the formation of[Mg_(x)Li_(y)Cl_(2x+y)·nTHF]complex solvation structure significantly lowers the coordination number of THF in the first solvation sheath of Mg^(2+),which significantly enhances its de-solvation *** MLCC electrolyte presents a stable electrochemical window up to 3.1 V(vs Mg/Mg^(2+))and enables reversible cycling of Mg metal deposition/stripping with an outstanding Coulombic efficiency up to 99%at current densities as high as 10 mA cm^(-2).Utilizing the MLCC electrolyte,a Mg/Mo_(6)S_(8) full cell can be cycled for over 10000 cycles with a superior capacity retention of 85 mA h g^(-1) under an ultrahigh rate of 50 C(1 C=128.8 mA g^(-1)).The facile synthesis of highperformance MLCC electrolyte provides a promising solution for future practical magnesium batteries.

关键词： cycle life electrolyte Mg battery solvation structure

Assessment of delocalized and localized molecular orbitals through electron momentum spectroscopy

在线全文

学校读者我要写书评

暂无评论

Chinese physics B 2014年第6期23卷 181-187页

作者：刘源张凌峰宁传刚 department of physics State Key Laboratory of Low-Dimensional Quantum Physics Tsinghua University Collaborative Innovation Center of quantum Matter

Recently, there was a hot controversy about the concept of localized orbitals, which was triggered by Grushow＇s work titled ＂Is it time to retire the hybrid atomic orbital？＂ [J. Chem. Educ. 88, 860 （2011）]. To clarify the issue, we assess the delocalized and localized molecular orbitals from an experimental view using electron momentum spectroscopy. The delocalized and localized molecular orbitals based on various theoretical models for CH4, NH3, and H20 are compared with the experimental momentum distributions. Our results show that the delocalized molecular orbitals rather than the localized ones can give a direct interpretation of the experimental （e, 2e） results.

关键词： electron momentum spectroscopy delocalized molecular orbital localized molecular orbital

An Alternative Adiabatic quantum Algorithm for the Hamiltonian Cycle Problem

在线全文

学校读者我要写书评

暂无评论

Communications in Theoretical physics 2015年第5期63卷 554-558页

作者：张大剑仝殿民陆遥龙桂鲁 department of physics Shandong University state key lab of low-dimensional quantum physics and department of physics Tsinghua University

We put forward an alternative quantum algorithm for finding ttamiltonian cycles in any N-vertex graph based on adiabatic quantum computing. With a yon Neumann measurement on the final state, one may determine whether there is a HamiRonian cycle in the graph and pick out a cycle if there is any. Although the proposed algorithm provides a quadratic speedup, it gives an alternative algorithm based on adiabatic quantum computation, which is of interest because of its inherent robustness.

关键词： Iquantum algorithm Hamiltonian cycle problem adiabatic quantum computation

Experimental Realization of Braunstein's Weight-Decision Algorithm

在线全文

学校读者我要写书评

暂无评论

Chinese physics Letters 2011年第9期28卷 28-30页

作者： HOU Shi-Yao CUI Jing-Xin LI Jun-Lin state key laboratory of low-dimensional quantum physics and department of physics Tsinghua UniversityBeijing 100084

Braunstein proposed an algorithm to distinguish the Boolean functions of two different *** we implement the algorithm in a two-qubit nuclear magnetic resonance quantum information *** experiment shows that the algorit... 详细信息

关键词： weights Boolean quantum