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Recent progress on photoactive nonprecious transition-metal complexes

Science China Chemistry 2025年第1期 46-95页

作者： Zhong-Liang Gong Hong-Jie Zhang Yan Cheng Jianxun Liu Yuhan Ai Yaqin Li Zhihui Feng Qiong Zhang Shaolong Gong Yong Chen Chang-Jiang Yao Yuan-Yuan Zhu Liang-Jin Xu Yu-Wu Zhong CAS Key laboratory of Photochemistry Institute of Chemistry Chinese Academy of Sciences State Key laboratory of Structural Cemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences School of Chemistry and Chemical Engineering Anhui Key Laboratory of Advanced Catalytic Materials and Reaction EngineeringHefei University of Technology State Key laboratory of Explosion Science and Safety Protection School of Mechatronical Engineering Beijing Institute of Technology College of Chemistry and Molecular sciences Hubei Key Lab on Organic and Polymeric Optoelectronic Materials Wuhan University School of Chemistry and Chemical Engineering Anhui University Key laboratory of Photochemical Conversion and Optoelectronic Materials & CAS-HKU Joint laboratory on New Materials Technical Institute of Physics and Chemistry Chinese Academy of Sciences

Photoactive complexes of nonprecious transition metals, mainly including those in the first-row and partially the second-row of the Periodic table of elements, have received increasing attention in view of their low cost and long-term sustainability. They are recognized as promising alternatives to noble transition metal complex congeners that have been extensively studied in optoelectronic devices, artificial photosynthesis, photocatalysis, biodiagnostics, and therapeutics, etc. This review is devoted to a comprehensive summary on the classical and recent advances on photoactive nonprecious transition metal complexes, including photoactive Zr, V, Cr, Mo, and W complexes, Mn complexes and hybrids, Fe, Co, Ni, and Cu complexes, and Zn and Cd complexes and hybrids. A particular focus is given on the molecular design, modulation of photophysical and photochemical properties, and applications of the representative and lately-developed nonprecious metal complexes. In addition, a perspective on the future development in this field is provided at the end of this review.

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2277-W continuous-wave diode-pumped heat capacity laser

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chinese Optics Letters 2007年第4期5卷 226-228页

作者：杨晓冬薄勇彭钦军崔前进耿爱丛崔大复许祖彦 beijing national laboratory for condensed matter physics Institute of physics chinese academy of sciences beijing national laboratory for condensed matter physics Institute of Physic chinese academy of sciences

A high power continuous-wave （CW） diode-pumped Nd：YAG laser operated in heat capacity mode is demonstrated by use of two identical highly efficient diode-pumped laser heads placed in a plane-plane resonator. The laser heads are uniformly pumped with a five-fold symmetrical side-pumping configuration, and each head is able to output maximum output power of 2200 W at 808 nm. Under a total pump power of 4290 W, the output power of the laser at 1064 nm is up to 2277 W, corresponding to an optical-to-optical efficiency of 53.1%.

关键词： Continuous wave lasers Optically pumped lasers Specific heat

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Electronic structures and optical properties of TiO_2:Improved density-functional-theory investigation

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chinese physics B 2012年第5期21卷 508-514页

作者：龚赛刘邦贵 beijing national laboratory for condensed matter physics Institute of PhysicsChinese Academy of Sciences

TiO2 has been recently used to realize high-temperature ferromagnetic *** fact,it has been widely used for a long time as white pigment and sunscreen because of its whiteness,high refractive index,and excellent optical ***,its electronic structures and the related properties have not been satisfactorily ***,we use Tran and Blaha＇s modified Becke-Johnson（TB-mBJ） exchange potential（plus a local density approximation correlation potential） within the density functional theory to investigate electronic structures and optical properties of rutile and anatase *** comparative calculations show that the energy gaps obtained from mBJ method agree better with the experimental results than that obtained from local density approximation（LDA） and generalized gradient approximation（GGA）,in contrast with substantially overestimated values from many-body perturbation（GW） *** for optical dielectric functions（both real and imaginary parts）,refractive index,and extinction coefficients as functions of photon energy,our mBJ calculated results are in excellent agreement with the experimental *** further analysis reveals that these excellent improvements are achieved because mBJ potential describes accurately the energy levels of Ti 3d *** results should be helpful to understand the high temperature ferromagnetism in doped *** approach can be used as a standard to understand electronic structures and the related properties of such materials as TiO2.

关键词： rutile anatase electronic structures optical properties

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Unified nonequilibrium dynamical theory for exchange bias and training effects

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chinese physics B 2009年第9期18卷 3960-3965页

作者：张开成刘邦贵 Institute of physics Chinese Academy of Sciences beijing national laboratory for condensed matter physics

We have investigated the exchange bias and training effect in the ferromagnetic/antiferromagnetic （FM/AF） heterostructures using a unified Monte Carlo dynamical approach. The magnetization of the uncompensated AF layer is still open after the first field cycling is finished. Our simulated results show obvious shift of hysteresis loops （exchange bias） and cycling dependence of exchange bias （training effect） when the temperature is below 45 K. The exchange bias field decreases with decreasing cooling rate or increasing temperature and the number of the field cycling. Essentially, these two effects can be explained on the basis of the microscopical coexistence of both reversible and irreversible moment reversals of the AF domains. Our simulations are useful to understand the real magnetization dynamics of such magnetic heterostructures.

关键词： ferromagnetic/antiferromagnetic bilayers hysteresis exchange bias training

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Cation mixing (Li_(0.5)Fe_(0.5))_2SO_4F cathode material for lithium-ion batteries

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chinese physics B 2011年第12期20卷 1-7页

作者：孙洋刘磊董金平张斌黄学杰 beijing national laboratory for condensed matter physics Institute of PhysicsChinese Academy of Sciences

We study the crystal structure of a triplite-structured （Li0.5Fe0.5）SO4F with full Li＋/Fe2＋ mixing. This promising polyanion cathode material for lithium-ion batteries operates at 3.9 V versus Li＋/Li with a theoretical capacity of 151 mAh/g. Its unique cation mixing structure does not block the Li＋ diffusion and results in a small lattice volume change during the charge/discharge process. The calculations show that it has a three-dimensional network for Li-ion migration with an activation energy ranging from 0.53 eV to 0.68 eV, which is comparable with that in LiFePO4 with only one-dimensional channels. This work suggests that further exploring cathode materials with full cation mixing for Li-ion batteries will be valuable.

关键词： lithium-ion battery cathode material triplite cation mixing

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Effects of energy dissipation on anisotropic materials

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chinese physics B 2015年第7期24卷 378-383页

作者：张凌云 beijing national laboratory for condensed matter physics Institute of PhysicsChinese Academy of Sciences

A model and its simulations are presented to describe the effects of energy dissipation on anisotropic systems. When the current electromigration is constant, energy dissipation depends on lattice constants, resistivity, and the angles along the longitudinal and transversal directions. It is shown that an orientation variation of the grain can significantly influence the energy dissipation for some anisotropic materials. Based on calculations for the grain model, the mechanism of grain growth and microstructure evolution under electromigration is explained. Theoretical implications about material selection and reliability are derived.

关键词： electromigration energy dissipation

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Spectroscopy and coherent manipulation of single and coupled flux qubits

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chinese physics B 2013年第9期22卷 278-284页

作者：吴玉林邓辉黄克强田野于海峰薛光明金贻荣李洁赵士平郑东宁 beijing national laboratory for condensed matter physics Institute of PhysicsChinese Academy of Sciences

Measurements of three-junction flux qubits, both single flux qubits and coupled flux qubits, using a coupled direct current superconducting quantum interference device （dc-SQUID） for readout are reported. The measurement procedure is described in detail. We performed spectroscopy measurements and coherent manipulations of the qubit states on a single flux qubit, demonstrating quantum energy levels and Rabi oscillations, with Rabi oscillation decay time TRabi =- 78 ns and energy relaxation time T~ = 315 ns. We found that the value of TRabi depends strongly on the mutual inductance between the qubit and the magnetic coil. We also performed spectroscopy measurements on inductively coupled flux qubits.

关键词： quantum computing flux qubit Rabi oscillation dc-SQUID

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Modulation of electrical and optical properties of gallium-doped ZnO films by radio frequency magnetron sputtering

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chinese physics B 2012年第6期21卷 478-484页

作者：梁爽梅增霞杜小龙 beijing national laboratory for condensed matter physics Institute of PhysicsChinese Academy of Sciences

Ga-doped ZnO （GZO） films are prepared on amorphous glass substrates at room temperature by radio frequency magnetron sputtering. The results reveal that the gallium doping efficiency, which will have an important influence on the electrical and optical properties of the film, can be governed greatly by the deposition pressure and film thickness. The position shifts of the ZnO （002） peaks in X-ray diffraction （XRD） measurements and the varied Hall mobility and carrier concentration confirms this result. The low Hall mobility is attributed to the grain boundary barrier scattering. The estimated height of barrier decreases with the increase of carrier concentration, and the trapping state density is nearly constant. According to defect formation energies and relevant chemical reactions, the photoluminescence （PL） peaks at 2.46 eV and 3.07 eV are attributed to oxygen vacancies and zinc vacancies, respectively. The substitution of more Ga atoms for Zn vacancies with the increase in film thickness is also confirmed by the PL spectrum. The obvious blueshift of the optical bandgap with an increase of carrier concentration is explained well by the Burstein Moss （BM） effect. The bandgap difference between 3.18 eV and 3.37 eV, about 0.2 eV, is attributed to the metal-semiconductor transition.

关键词： doping efficiency Hall mobility photoluminescence Burstein-Moss effect

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Silicene:from monolayer to multilayer——A concise review

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chinese physics B 2015年第8期24卷 5-14页

作者：李晖付会霞孟胜 beijing national laboratory for condensed matter physics and Institute of physics Chinese Academy of Sciences

Silicene, a newly isolated silicon allotrope with a two-dimensional(2D) honeycomb lattice structure, is predicted to have electronic properties similar to those of graphene, including the existence of signature Dirac fermions. Furthermore,the strong spin–orbit interaction of Si atoms potentially makes silicene an experimentally accessible 2D topological insulator. Since 2012, silicene films have been experimentally synthesized on Ag(111) and other substrates, motivating a burst of research on silicene. We and collaborators have employed STM investigations and first principles calculations to intensively study the structure and electronic properties of silicene films on Ag(111), including monolayer, bilayer, and multilayer silicenes, as well as hydrogenation of silicene.

关键词： silicene STM STS first principles calculation

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Preparing three-dimensional graphene architectures: Review of recent developments

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chinese physics B 2013年第9期22卷 93-100页

作者：曾敏王文龙白雪冬 beijing national laboratory for condensed matter physics Institute of PhysicsChinese Academy of Sciences

The recent development of synthesis processes to assemble graphene sheets into porous three-dimensional （3D）macroscopic structures are reviewed, including our efforts on 3D graphene structures. Mechanisms for building 3D graphene architectures and their composite materials are also summarized. The functional systems based on 3D graphene architectures provide a significant enhancement in the efficacy due to their unique structures and properties.

关键词： graphene three-dimensional architecture self-assembly template method

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