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| 1 | The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies显示文摘The Open Quantum Materials Database(OQMD)is a high-throughput database currently consisting of nearly 300,000 density functional theory(DFT)total energy calculations of compounds from the Inorganic Crystal Structure Database(ICSD)and decorations of commonly occurring crystal structures.To maximise the impact of these data,the entire database is being made available,without restrictions,at www.oqmd.org/download.In this paper,we outline the structure and contents of the database,and then use it to evaluate the accuracy of the calculations therein by comparing DFT predictions with experimental measurements for the stability of all elemental ground-state structures and 1,670 experimental formation energies of compounds.This represents the largest comparison between DFT and experimental formation energies to date.The apparent mean absolute error between experimental measurements and our calculations is 0.096 eV/atom.In order to estimate how much error to attribute to the DFT calculations,we also examine deviation between different experimental measurements themselves where multiple sources are available,and find a surprisingly large mean absolute error of 0.082 eV/atom.Hence,we suggest that a significant fraction of the error between DFT and experimental formation energies may be attributed to experimental uncertainties.Finally,we evaluate the stability of compounds in the OQMD(including compounds obtained from the ICSD as well as hypothetical structures),which allows us to predict the existence of~3,200 new compounds that have not been experimentally characterised and uncover trends in material discovery,based on historical data available within the ICSD. | Scott Kirklin James E Saal Bryce Meredig Alex Thompson Jeff W Doak Muratahan Aykol Stephan Rühl Chris Wolverton | 2015 | npj Computational Materials2015，，1： | 62 |
| 2 | CdTe/ZnSe核壳量子点免疫层析试纸条检测克伦特罗的研究显示文摘采用巯基丁二酸作为表面修饰剂,水相法合成水溶性的CdTe/ZnSe核壳量子点,然后在N-羟基琥珀酰亚胺(NHS)的作用下,将CdTe/ZnSe核壳量子点与抗克伦特罗多克隆抗体(Anti-CLE pAb)连接。通过凝胶电泳和斑点杂交实验,验证CdTe/ZnSe核壳量子点与Anti-CLE pAb连接成功,并且CdTe/ZnSe-Anti-CLE pAb偶联物能识别克伦特罗-BSA抗原(CLE-BSA)。光谱分析表明,量子点与抗体连接后荧光增强,荧光峰位从628nm红移至635nm。将合成的CdTe/ZnSe-Anti-CLE pAb偶联物作为指示克伦特罗(CLE)分子的荧光标记物,制备出一种用于检测CLE的免疫层析试纸条,其最低检测量可达1μg/L。与ELISA法的对比实验表明,此试纸条能应用于CLE残留的快速检测。 | 胡华军 付涛 张明洲 洪治 陈宗伦 刘军 | 2010 | 分析化学2010，38，12： | 32 |
| 3 | Synthesis, properties, and applications of graphene oxide/reduced graphene oxide and their nanocomposites显示文摘Thanks to their remarkable mechanical, electrical, thermal, and barrier properties, graphene-based nanocomposites have been a hot area of research in the past decade. Because of their simple top-down synthesis, graphene oxide (GO) and reduced graphene oxide (rGO) have opened new possibilities for gas barrier, membrane separation, and stimuli-response characteristics in nanocomposites. Herein, we review the synthesis techniques most commonly used to produce these graphene derivatives, discuss how synthesis affects their key material properties, and highlight some examples of nanocomposites with unique and impressive properties. We specifically highlight their performances in separation applications, stimuli-responsive materials, anti-corrosion coatings, and energy storage. Finally, we discuss the outlook and remaining challenges in the field of practical industrial-scale production and use of graphene-derivative-based polymer nanocomposites. | Andrew T. Smith Anna Marie LaChance Songshan Zeng Bin Liu Luyi Sun | 2019 | Nano Materials Science2019，1，1： | 33 |
| 4 | Revisiting the security of quantum dialogue and bidirectional quantum secure direct communication显示文摘From the perspective of information theory and cryptography,the security of two quantum dialogue protocols and a bidirectional quantum secure direct communi-cation(QSDC) protocol was analyzed,and it was pointed out that the transmitted information would be partly leaked out in them.That is,any eavesdropper can elicit some information about the secrets from the public annunciations of the legal us-ers.This phenomenon should have been strictly forbidden in a quantum secure communication.In fact,this problem exists in quite a few recent proposals and,therefore,it deserves more research attention in the following related study. | GAO Fei GUO FenZhuo WEN QiaoYan ZHU FuChen | 2008 | Science China(Physics,Mechanics & Astronomy)2008，51，5： | 28 |
| 5 | Quantum Fluctuation in Thermal Vacuum State for Mesoscopic LC Electric Circuit显示文摘We consider the quantization of LC(inductance-capacitance)circuit at a finite temperature T as any practical circuits always produce Joule heat except for superconductivity.It is shown that the quantum mechanical zeropoint fluctuations of both charge and current increase with upgoing T.Thermal Held dynamics is used in our discussion. | 范洪义 梁先庭 | 2000 | Chinese Physics Letters2000，17，3： | 26 |
| 6 | Establishment of apparent quantum yield and maximum ecosystem assimilation on Tibetan Plateau alpine meadow ecosystem显示文摘The alpine meadow is widely distributed on the Tibetan Plateau with an area of about 1.2×106kn2. Damxung County, located in the hinterland of the Tibetan Plateau, is the place covered with this typical vegetation. An open-path eddy covariance system was set up in Damxung rangeland station to measure the carbon flux of alpine meadow from July to October,2003. The continuous carbon flux data were used to analyze the relationship between net ecosystem carbon dioxide exchange (NEE) and photosynthetically active radiation (PAR), as well as the seasonal patterns of apparent quantum yield (α) and maximum ecosystem assimilation (Pmax).Results showed that the daytime NEE fitted fairly well with the PAR in a rectangular hyperbola function, with α declining in the order of peak growth period (0.0244 μmolCO2 · μmol-1pAR) >early growth period > seed maturing period > withering period (0.0098 μmolCO2 · μmol-1pAR).The Pmax did not change greatly during the first three periods, with an average of 0.433mgCO2· m-2· s-1, i.e. 9.829 μmolCO2· m-2· s-1. However, during the withering period, Pmax was only 0.35 mgCO2 · m-2 · s-1, i.e. 7.945 μmolCO2 · m-2 · s-1. Compared with other grassland ecosystems, the α of the Tibetan Plateau alpine meadow ecosystem was much lower. | XU Lingling, ZHANG Xianzhou, SHI Peili & YU Guirui Institute of Geographic Sciences and Natural Resources Research, Chinese Academy of Sciences, Beijing 100101, China Graduate School of the Chinese Acedemy of Sciences, Beijing 100039, China | 2005 | Science China Earth Sciences2005，48，z1： | 23 |
| 7 | Lanthanide NIR luminescence for telecommunications, bioanalyses and solar energy conversion显示文摘Present-day advanced technologies heavily rely on the exciting magnetic and spectroscopic properties of lanthanide ions. In particular, their ability to generate well-characterized and intense near-infrared (NIR) luminescence is exploited in any modern fiber-optic telecommunication network. In this feature article, we first summarize the whereabouts underlying the design of highly luminescent NIR molecular edifices and materials. We then focus on describing the main trends in three applications related to this spectral range: telecommunications, biosciences, and solar energy conversion. In telecommunications, efforts concentrate presently on getting easily processable polymer-based waveguide amplifiers. Upconversion nanophosphors emitting in the visible after NIR excitation are now ubiquitous in many bioanalyses while their application to bio-imaging is still in its early stages; however, highly sensitive NIR-NIR systems start to be at hand for both in vitro and in vivo imaging, as well as dual probes combining magnetic resonance and optical imaging. Finally, both silicon-based and dye-sensitized solar cells benefit from the downconversion and upconversion capabilities of lanthanide ions to harvest UV and NIR solar light and to boost the overall quantum efficiency of these next-generation devices. | Jean-Claude G. Bünzli Svetlana V. Eliseeva | 2010 | Journal of Rare Earths2010，28，6： | 22 |
| 8 | Quantum secure direct communication with cluster states显示文摘A quantum secure direct communication protocol with cluster states is proposed.Compared with the deterministic secure quantum communication protocol with the cluster state proposed by Yuan and Song(Int.J.Quant.Inform.,2009,7:689),this protocol can achieve higher intrinsic efficiency by using two-step transmission.The implementation of this protocol is also discussed. | CAO WeiFeng 1,YANG YuGuang 3,4,5* & WEN QiaoYan 2 1 College of Electric and Information Engineering,Zhengzhou University of Light Industry,Zhengzhou 450002,China 2 State Key Laboratory of Networking and Switching Technology,Beijing University of Posts and Telecommunications,Beijing 100876,China 3 College of Computer Science and Technology,Beijing University of Technology,Beijing 100124,China 4 State Key Laboratory of Integrated Services Network,Xidian University,Xi’an 710071,China 5 State key Laboratory of Information Security Gradute University of Chinese Academy of Sciences,Beijing 100049,China | 2010 | Science China(Physics,Mechanics & Astronomy)2010，53，7： | 20 |
| 9 | Hierarchical and probabilistic quantum state sharing via a non-maximally entangled stateHierarchical and probabilistic quantum state sharing via a non-maximally entangled stateHierarchical and probabilistic quantum state sharing via a non-maximally entangled state显示文摘A scheme that probabilistically realizes hierarchical quantum state sharing of an arbitrary unknown qubit state with a four-qubit non-maximally entangled 丨X) state is presented in this paper. In the scheme, the sender Alice distributes a quantum secret with a Bell-state measurement and publishes her measurement outcomes via a classical channel to three agents who are divided into two grades. One agent is in the upper grade, while the other two agents are in the lower grade. Then by introducing an ancillary qubit, the agent of the upper grade only needs the assistance of any one of the other two agents for probabilistically obtaining the secret, while an agent of the lower grade needs the help of both the other two agents by using a controlled-NOT operation and a proper positive operator-valued measurement instead of the usual projective measurement. In other words, the agents of two different grades have different authorities to reconstruct Alice's secret in a probabilistic manner. The scheme can also be modified to implement the threshold-controlled teleportation. | 彭家寅 柏明强 莫智文 | 2014 | Chinese Physics B2014，，1： | 20 |
| 10 | Deterministic secure quantum communication over a collective-noise channel显示文摘We present two deterministic secure quantum communication schemes over a collective-noise. One is used to complete the secure quantum communication against a collective-rotation noise and the other is used against a collective-dephasing noise. The two parties of quantum communication can exploit the correlation of their subsystems to check eavesdropping efficiently. Although the sender should prepare a sequence of three-photon entangled states for accomplishing secure communication against a collective noise,the two parties need only single-photon measurements,rather than Bell-state measurements,which will make our schemes convenient in practical application. | GU Bin PEI ShiXin SONG Biao ZHONG Kun | 2009 | Science China(Physics,Mechanics & Astronomy)2009，52，12： | 20 |
| 11 | Eavesdropping in a quantum secret sharing protocol based on Grover algorithm and its solution显示文摘A detailed analysis has showed that the quantum secret sharing protocol based on the Grover algorithm (Phys Rev A, 2003, 68: 022306) is insecure. A dishonest receiver may obtain the full information without being detected. A quantum secret-sharing protocol is presents here, which mends the security loophole of the original secret-sharing protocol, and doubles the information capacity. | HAO Liang1, LI JunLin1 & LONG GuiLu1,2 1Key Laboratory for Atomic and Molecular NanoSciences and Department of Physics, Tsinghua University, Beijing 100084, China 2Tsinghua National Laboratory for Information Science and Technology, Beijing 100084, China | 2010 | Science China(Physics,Mechanics & Astronomy)2010，53，3： | 20 |
| 12 | Measurement-device-independent quantum communication without encryption显示文摘Security in communication is vital in modern life. At present, security is realized by an encryption process in cryptography. It is unbelievable if a secure communication is achievable without encryption. In quantum cryptography, there is a unique form of quantum communication, quantum secure direct communication, where secret information is transmitted directly over a quantum channel. Quantum secure direct communication is drastically distinct from our conventional concept of secure communication, because it does not require key distribution, key storage and ciphertext transmission, and eliminates the encryption procedure completely. Hence it avoids in principle all the security loopholes associated with key and ciphertext in traditional secure communications. For practical implementation, defects always exist in real devices and it may downgrade the security. Among the various device imperfections, those with the measurement devices are the most prominent and serious ones. Here we report a measurementdevice-independent quantum secure direct communication protocol using Einstein-Podolsky-Rosen pairs. This protocol eradicates the security vulnerabilities associated with the measurement device,and greatly enhances the practical security of quantum secure direct communication. In addition to the security advantage, this protocol has an extended communication distance, and a high communication capacity. | Peng-Hao Niu Zeng-Rong Zhou Zai-Sheng Lin Yu-Bo Sheng Liu-Guo Yin Gui-Lu Long | 2018 | Science Bulletin2018，63，20： | 19 |
| 13 | Dense coding scheme using superpositions of Bell-states and its NMR implementation显示文摘Dense coding using superpositions of Bell-states is proposed. The generalized Grover's algorithm is used to prepare the initial entangled states, and the reverse process of the quantum algorithm is used to determine the entangled state in the decoding measurement. Compared with the previous schemes, the superpositions of two Bell-states are exploited. Our scheme is demonstrated using a nuclear magnetic resonance (NMR)quantum computer. The corresponding manipulations are obtained. Experimental results show a good agreement between theory and experiment. We also generalize the scheme to transmit eight messages by introducing an additional two-state system. | ZHANG Jingfu, XIE Jingyi, DENG Zhiwei & LU Zhiheng Key Laboratory for Quantum Information and Measurements, Department of Physics, Tsinghua University, Beijing 100084, China Center for Quantum Information, Tsinghua University, Beijing 100084, China Department of Materials Science and Engineering, Beijing Normal University, Beijing 100875, China Testing and Analytical Center, Beijing Normal University, Beijing 100875, China Department of Physics, Beijing Normal University, Beijing 100875, China | 2005 | Science China(Physics,Mechanics & Astronomy)2005，48，1： | 18 |
| 14 | Quasi-secure quantum dialogue using single photons显示文摘A quasi-secure quantum dialogue protocol using single photons was proposed. Different from the previous entanglement-based protocols, the present protocol uses batches of single photons which run back and forth between the two parties. A round run for each photon makes the two parties each obtain a classical bit of information. So the efficiency of information transmission can be increased. The present scheme is practical and well within the present-day technology. | YANG YuGuang1,2 & WEN QiaoYan31 College of Computer Science and Technology, Beijing University of Technology, Beijing 100022, China 2 State Key Laboratory of Information Security, Graduate University of the Chinese Academy of Sciences, Beijing 100049, China 3 School of Science, Beijing University of Posts and Telecommunications, Beijing 100876, China | 2007 | Science China(Physics,Mechanics & Astronomy)2007，50，5： | 18 |
| 15 | Quantum secret sharing between multiparty and multiparty with four states显示文摘A protocol of quantum secret sharing between multiparty and multiparty with four states was presented. It was shown that this protocol can nullify the Trojan horse attack with a multi-photon signal, the fake-signal attack with Einstein-Podolsky- Rosen pairs, the attack with single photons, and the attack with invisible photons. In addition, the upper bounds of the average success probabilities were given for dishonest agent eavesdropping encryption using the fake-signal attack with any two-particle entangled states. | YAN FengLi1, GAO Ting2 & LI YouCheng1 1 College of Physics and Information Engineering, Hebei Normal University, Shijiazhuang 050016, China 2 College of Mathematics and Information Science, Hebei Normal University, Shijiazhuang 050016, China | 2007 | Science China(Physics,Mechanics & Astronomy)2007，50，5： | 18 |
| 16 | Quantum secret sharing between multiparty and multiparty with Bell states and Bell measurements显示文摘We present a quantum secret sharing scheme between multiparty (m members in Group 1) and multiparty (n members in Group 2), and analyze its security. This scheme takes EPR pairs in Bell states as quantum resources. In order to obtain the shared key, all members only need to perform Bell measurements, rather than perform any local unitary operation. The total efficiency in this scheme approaches 100% as the classical information exchanged is not necessary except for the eavesdropping checks. | SHI RunHua 1,2* , HUANG LiuSheng 1,3 , YANG Wei 1,3 & ZHONG Hong 2 1 National High Performance Computing Center at Hefei, Department of Computer Science and Technology, University of Science and Technology of China, Hefei, 230027, China 2 School of Computer Science and Technology, Anhui University, Hefei 230039, China 3 Suzhou Institute for Advanced Study, USTC, Suzhou 215123, China | 2010 | Science China(Physics,Mechanics & Astronomy)2010，53，12： | 17 |
| 17 | Ecological optimization of an irreversible harmonic oscillators Carnot heat engine显示文摘A model of an irreversible quantum Carnot heat engine with heat resistance,internal irreversibility and heat leakage and many non-interacting harmonic oscillators is established in this paper. Based on the quantum master equation and semi-group approach,equations of some important performance parameters,such as power output,efficiency,exergy loss rate and ecological function for the irreversible quantum Carnot heat engine are derived. The optimal ecological performance of the heat engine in the classical limit is analyzed with numerical examples. Effects of internal irreversibility and heat leakage on the ecological performance are discussed. A performance comparison of the quantum heat engine under maximum ecological function and maximum power conditions is also performed. | LIU XiaoWei CHEN LinGen WU Feng SUN FengRui | 2009 | Science China(Physics,Mechanics & Astronomy)2009，52，12： | 16 |
| 18 | Quantum entanglement and quantum operation显示文摘It is a simple introduction to quantum entanglement and quantum operations.The authors focus on some applications of quantum entanglement and relations between two-qubit entangled states and unitary operations.It includes remote state preparation by using any pure entangled states,nonlocal operation implementation using entangled states,entanglement capacity of two-qubit gates and two-qubit gates construction. | YE MingYong ZHANG YongSheng GUO GuangCan | 2008 | Science China(Physics,Mechanics & Astronomy)2008，51，1： | 16 |
| 19 | Quantum Squeezing Effects of a Non-dissipative Mesoscopic Circuit with Coupled Inductors and Capacitors显示文摘The quantum fluctuations of the charge and current in a non-dissipative mesoscopic circuit with coupled inductors and capacitors are studied for the squeezed vacuum state.The influence of the phase angle upon the quantum fluctuations is discussed in particular.Our results indicate that when the circuit parameters remain constant and the phasesθof the two circuits are equal,the squeezing of the charge or its conjugate variable increases.When the difference of the two phases equalsπ,the squeezing will deteriorate.Therefore,if we want to decrease the quantum noise,we should not only control the amplitude r,but also control the phaseθcarefully. | 雷敏生 嵇英华 谢芳森 | 2001 | Chinese Physics Letters2001，18，2： | 16 |
| 20 | On the infimum problem of Hilbert space effects显示文摘The quantum effects for a physical system can be described by the set ε(H) of positive operators on a complex Hilbert space Hthat are bounded above by the identity operator Ⅰ. The infimum problem of Hilbert space effects is to find under what condition the infimum A∧B exists for two quantum effects A and B ∈ε(H). The problem has been studied in different contexts by R. Kadison, S. Gudder, M. Moreland, and T. Ando. In this note, using the method of the spectral theory of operators, we give a complete answer of the infimum problem. The characterizations of the existence of infimum A ∧ B for two effects A, B ∈ε(H) are established. | DU Hongke DENG Chunyuan LI Qihui | 2006 | Science China Mathematics2006，49，4： | 16 |
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