Developing Earth-abundant,highly efficient,and anticorrosion electrocatalysts to boost the oxygen evolution reaction(OER),oxygen reduction reaction(ORR),and hydrogen evolution reaction(HER) for the Zn–air battery(ZAB...Developing Earth-abundant,highly efficient,and anticorrosion electrocatalysts to boost the oxygen evolution reaction(OER),oxygen reduction reaction(ORR),and hydrogen evolution reaction(HER) for the Zn–air battery(ZAB) and for overall water splitting is imperative.In this study,a novel process starting with Cu2O cubes was developed to fabricate hollow NixCo1-xSe nanocages as trifunctional electrocatalysts for the OER,ORR,and HER and a reasonable formation mechanism was proposed.The Ni0.2Co0.8Se nanocages exhibited higher OER activity than its counterparts with the low overpotential of 280 mV at 10 mA cm-2.It also outperformed the other samples in the HER test with a low overpotential of 73 mV at 10 mA cm-2.As an air–cathode of a self-assembled rechargeable ZAB,it exhibited good performance,such as an ultralong cycling lifetime of > 50 h,a high round-trip efficiency of 60.86%,and a high power density of 223.5 mW cm-2.For the application in self-made all-solid-state ZAB,it also demonstrated excellent performance with a power density of 41.03 mW cm-2 and an open-circuit voltage of 1.428 V.In addition,Ni0.2Co0.8Se nanocages had superior performance in a practical overall water splitting,in which only 1.592 V was needed to achieve a current density of 10 mA cm-2.These results show that hollow NixCo1-xSe nanocages with an optimized Ni-to-Co ratio are a promising cost-effective and high-efficiency electrocatalyst for ZABs and overall water splitting in alkaline solutions.展开更多
Structural, electronic, and optical properties of alloys BexMgl-xX （X = S, Se, Te） in the assortment 0 〈 x 〈 1 were theoretically reported for the first time in zinc-blende （ZB） phase. The calculations were carr...Structural, electronic, and optical properties of alloys BexMgl-xX （X = S, Se, Te） in the assortment 0 〈 x 〈 1 were theoretically reported for the first time in zinc-blende （ZB） phase. The calculations were carried out by using full-potential linearized augmented plane wave plus local orbitals （FP-LAPW＋lo） formalism contained by the framework of density functional theory （DFT）. Wu--Cohen （WC） generalized gradient approximation （GGA）, based on optimization energy, has been applied to calculate these theoretical results. In addition, we used Becke and Johnson （mBJ-GGA） potential, modified form of GGA functional, to calculate electronic structural properties up to a high precision degree. The alloys were composed with the concentrations x = 0.25, 0.5, and 0.75 in pursuance of ＇special quasi-random structures＇ （SQS） approach of Zunger for the restoration of disorder around the observed site of alloys in the first few shells. The structural parameters have been predicted by minimizing the total energy in correspondence of unit cell volume. Our alloys established direct band gap at different concentrations that make their importance in optically active materials. Furthermore, density of states was discussed in terms of the contribution of Be and Mg s and chalcogen （S, Se, and Te） s and p states and observed charge density helped us to investigate the bonding nature. By taking into consideration of immense importance in optoelectronics of these materials, the complex dielectric function was calculated for incident photon energy in the range 0--15 eV.展开更多
Coupling of a phase transition to electron and phonon transports provides extra degree of freedom to improve the thermoelectric performance, while the pertinent experimental and theoretical studies are still rare. Par...Coupling of a phase transition to electron and phonon transports provides extra degree of freedom to improve the thermoelectric performance, while the pertinent experimental and theoretical studies are still rare. Particularly,the impaction of chemical compositions and phase transition characters on the abnormal thermoelectric properties across phase transitions are largely unclear. Herein, by varying the Cu content x from 1.75 to 2.10, we systemically investigate the crystal structural evolution, phase transition features, and especially the thermoelectric properties during the phase transition for Cu_(x)Se. It is found that the addition of over-stoichiometry Cu in Cu_(x)Se could alter the phase transition characters and suppress the formation of Cu vacancies. The critical scatterings of phonons and electrons during phase transitions strongly enhance the Seebeck coefficient and diminish the thermal conductivity, leading to an ultrahigh dimensionless thermoelectric figure of merit of ~1.38 at 397 K in Cu_(2.10)Se.With the decreasing Cu content, the critical electron and phonon scattering behaviors are mitigated, and the corresponding thermoelectric performances are reduced. This work offers inspirations for understanding and tuning the thermoelectric transport properties during phase transitions.展开更多
The third-order nonlinear optical properties of water-soluble Cu Se nanocrystals are studied in the near infrared range of 700-980 nm using a femtosecond pulsed laser by the Z-scan technique. It is observed that the n...The third-order nonlinear optical properties of water-soluble Cu Se nanocrystals are studied in the near infrared range of 700-980 nm using a femtosecond pulsed laser by the Z-scan technique. It is observed that the nonlinear optical response of Cu Se nanocrystals is sensitively dependent on the excitation wavelength and exhibits the enhanced nonlinearity compared with other selenides such as ZnSe and CdSe. The W-shaped Z-scan trace, a mixture of the reversed saturated absorption and saturated absorption, is observed near the plasmon resonance band of Cu Se nanocrystals, which is attributed to the state-filling of free carriers generated by copper vacancies (self-doping effect) of Cu Se nanocrystals as well as the hot carrier thermal effect upon intense femtosecond laser excitation. The large nonlinear optical response and tunable plasmonic band make Cu Se nanocrystals promising materials for applications in ultra-fast all-optical switching devices as well as nonlinear nanosensors.展开更多
In order to carry out the measurement of heavy nuclei in accelerator mass spectrometry, characteristic X-rays of the incident projectile have been explored and used as a method for isobar discrimination. The projectil...In order to carry out the measurement of heavy nuclei in accelerator mass spectrometry, characteristic X-rays of the incident projectile have been explored and used as a method for isobar discrimination. The projectile X-ray combined with AMS technique has been set up in China institute of Atomic Energy. The measurement of 79Se was performed by resorting to the projectile X-ray AMS technique and the detection sensitivity of 79Se was improved more than 2 orders of magnitude. The detection limit was about 3.6x 10-9 for 79Se/Se.展开更多
Based on k · p analysis and realistic tight-binding calculations, we find that time-reversal-breaking Weyl semimetals can be realized in magnetically-doped(Mn, Eu, Cr, etc.) Sn_(1-x)Pb_x(Te, Se) class of topologi...Based on k · p analysis and realistic tight-binding calculations, we find that time-reversal-breaking Weyl semimetals can be realized in magnetically-doped(Mn, Eu, Cr, etc.) Sn_(1-x)Pb_x(Te, Se) class of topological crystalline insulators. All the Weyl points are well separated in momentum space and possess nearly the same energy due to high crystalline symmetry.Moreover, both the Weyl points and Fermi arcs are highly tunable by varying Pb/Sn composition, pressure, magnetization,temperature, surface potential, etc., opening up the possibility of manipulating Weyl points and rewiring the Fermi arcs.展开更多
基金the Guangzhou Science and Technology Plan Projects(No.201804010323)the Guangdong Natural Science Funds for Distinguished Young Scholars(No.2015A030306006)+3 种基金the Guangdong Innovative and Entrepreneurial Research Team Program(No.2014ZT05N200)the Fundamental Research Funds for the Central Universities(SCUT Grant No.2018ZD022)the Project for Natural Science Foundation of Guangdong Province(No.2018A030313178)the funding support from the Natural Science Foundation of Guangdong Province(No.2015A030310176)
文摘Developing Earth-abundant,highly efficient,and anticorrosion electrocatalysts to boost the oxygen evolution reaction(OER),oxygen reduction reaction(ORR),and hydrogen evolution reaction(HER) for the Zn–air battery(ZAB) and for overall water splitting is imperative.In this study,a novel process starting with Cu2O cubes was developed to fabricate hollow NixCo1-xSe nanocages as trifunctional electrocatalysts for the OER,ORR,and HER and a reasonable formation mechanism was proposed.The Ni0.2Co0.8Se nanocages exhibited higher OER activity than its counterparts with the low overpotential of 280 mV at 10 mA cm-2.It also outperformed the other samples in the HER test with a low overpotential of 73 mV at 10 mA cm-2.As an air–cathode of a self-assembled rechargeable ZAB,it exhibited good performance,such as an ultralong cycling lifetime of > 50 h,a high round-trip efficiency of 60.86%,and a high power density of 223.5 mW cm-2.For the application in self-made all-solid-state ZAB,it also demonstrated excellent performance with a power density of 41.03 mW cm-2 and an open-circuit voltage of 1.428 V.In addition,Ni0.2Co0.8Se nanocages had superior performance in a practical overall water splitting,in which only 1.592 V was needed to achieve a current density of 10 mA cm-2.These results show that hollow NixCo1-xSe nanocages with an optimized Ni-to-Co ratio are a promising cost-effective and high-efficiency electrocatalyst for ZABs and overall water splitting in alkaline solutions.
基金the Deanship of Scientific Research at King Saud University for funding this Research group No.RG 1435-004
文摘Structural, electronic, and optical properties of alloys BexMgl-xX （X = S, Se, Te） in the assortment 0 〈 x 〈 1 were theoretically reported for the first time in zinc-blende （ZB） phase. The calculations were carried out by using full-potential linearized augmented plane wave plus local orbitals （FP-LAPW＋lo） formalism contained by the framework of density functional theory （DFT）. Wu--Cohen （WC） generalized gradient approximation （GGA）, based on optimization energy, has been applied to calculate these theoretical results. In addition, we used Becke and Johnson （mBJ-GGA） potential, modified form of GGA functional, to calculate electronic structural properties up to a high precision degree. The alloys were composed with the concentrations x = 0.25, 0.5, and 0.75 in pursuance of ＇special quasi-random structures＇ （SQS） approach of Zunger for the restoration of disorder around the observed site of alloys in the first few shells. The structural parameters have been predicted by minimizing the total energy in correspondence of unit cell volume. Our alloys established direct band gap at different concentrations that make their importance in optically active materials. Furthermore, density of states was discussed in terms of the contribution of Be and Mg s and chalcogen （S, Se, and Te） s and p states and observed charge density helped us to investigate the bonding nature. By taking into consideration of immense importance in optoelectronics of these materials, the complex dielectric function was calculated for incident photon energy in the range 0--15 eV.
基金Supported by the National Key Research and Development Program of China (Grant No. 2018YFB0703600)the National Natural Science Foundation of China (Grant Nos. 91963208, 51625205, 51961135106, and 51902199)+2 种基金Shanghai Government (Grant No. 20JC1415100)the CAS-DOE Program of Chinese Academy of Sciences (Grant No. 121631KYSB20180060)the Shanghai Sailing Program (Grant No. 19YF1422800)。
文摘Coupling of a phase transition to electron and phonon transports provides extra degree of freedom to improve the thermoelectric performance, while the pertinent experimental and theoretical studies are still rare. Particularly,the impaction of chemical compositions and phase transition characters on the abnormal thermoelectric properties across phase transitions are largely unclear. Herein, by varying the Cu content x from 1.75 to 2.10, we systemically investigate the crystal structural evolution, phase transition features, and especially the thermoelectric properties during the phase transition for Cu_(x)Se. It is found that the addition of over-stoichiometry Cu in Cu_(x)Se could alter the phase transition characters and suppress the formation of Cu vacancies. The critical scatterings of phonons and electrons during phase transitions strongly enhance the Seebeck coefficient and diminish the thermal conductivity, leading to an ultrahigh dimensionless thermoelectric figure of merit of ~1.38 at 397 K in Cu_(2.10)Se.With the decreasing Cu content, the critical electron and phonon scattering behaviors are mitigated, and the corresponding thermoelectric performances are reduced. This work offers inspirations for understanding and tuning the thermoelectric transport properties during phase transitions.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11274302,11474276 and 11674240
文摘The third-order nonlinear optical properties of water-soluble Cu Se nanocrystals are studied in the near infrared range of 700-980 nm using a femtosecond pulsed laser by the Z-scan technique. It is observed that the nonlinear optical response of Cu Se nanocrystals is sensitively dependent on the excitation wavelength and exhibits the enhanced nonlinearity compared with other selenides such as ZnSe and CdSe. The W-shaped Z-scan trace, a mixture of the reversed saturated absorption and saturated absorption, is observed near the plasmon resonance band of Cu Se nanocrystals, which is attributed to the state-filling of free carriers generated by copper vacancies (self-doping effect) of Cu Se nanocrystals as well as the hot carrier thermal effect upon intense femtosecond laser excitation. The large nonlinear optical response and tunable plasmonic band make Cu Se nanocrystals promising materials for applications in ultra-fast all-optical switching devices as well as nonlinear nanosensors.
基金the Nation Natural Science Foundation of China China Nuclear Industry Corporation
文摘In order to carry out the measurement of heavy nuclei in accelerator mass spectrometry, characteristic X-rays of the incident projectile have been explored and used as a method for isobar discrimination. The projectile X-ray combined with AMS technique has been set up in China institute of Atomic Energy. The measurement of 79Se was performed by resorting to the projectile X-ray AMS technique and the detection sensitivity of 79Se was improved more than 2 orders of magnitude. The detection limit was about 3.6x 10-9 for 79Se/Se.
基金Project supported by the MRSEC Program of the National Natural Science Foundation of China(Grant No.DMR-1419807)the Start Up Funding from HKUST and the National Thousand-Yong-Talents Program of China
文摘Based on k · p analysis and realistic tight-binding calculations, we find that time-reversal-breaking Weyl semimetals can be realized in magnetically-doped(Mn, Eu, Cr, etc.) Sn_(1-x)Pb_x(Te, Se) class of topological crystalline insulators. All the Weyl points are well separated in momentum space and possess nearly the same energy due to high crystalline symmetry.Moreover, both the Weyl points and Fermi arcs are highly tunable by varying Pb/Sn composition, pressure, magnetization,temperature, surface potential, etc., opening up the possibility of manipulating Weyl points and rewiring the Fermi arcs.
文摘X射线衍射(XRD)图谱数据的采集和分析是新材料开发周期中必不可少的步骤之一,常规实验表征很难实现大批量的测试和快速鉴别.文章基于DenseNet设计了一个衍射图空间群识别的神经网络模型SE-DenseNet.SE-Dense Net在简化了网络结构的同时,通过增加注意力机制(Squeeze and Excitation,SE),并采用新的激活函数来提高网络模型的性能.研究表明,在具有32337个样本包含20类空间群的数据集上,SE-Dense Net的准确率为81.73%,较基础对照模型提高了4.9%.研究发现,尽管数据集的不平衡性是限制神经网络模型预测准确度的主要原因之一,但SE-DenseNet的性能足以在短时间对大量衍射图数据产生准确的预测,并提供有意义的参考.
