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| 1 | Theoretical study of the low-lying electronic excited states for molecular aggregates显示文摘We present here a brief summary of a National Natural Science Foundation Major Project entitled 'Theoretical study of the low-lying electronic excited state for molecular aggregates'. The project focuses on theoretical investigation of the electronic structures and dynamic processes upon photo-and electric-excitation for molecules and aggregates. We aim to develop reliable methodology to predict the optoelectronic properties of molecular materials related to the electronic excitations and to apply in the experiments. We identify two essential scientific challenges: (i) nature of intramolecular and intermolecular electronic excited states; (ii) theoretical description of the dynamic processes of the coupled motion of electronic excitations and nucleus. We propose the following four subjects of research: (i) linear scaling time-dependent density-functional theory and its application to open shell system; (ii) computational method development of electronic excited state for molecular aggregates; (iii) theoretical investigation of the time evolution of the excited state dynamics; (iv) methods to predict the optoelectronic properties starting from electronic excited state investigation for organic materials and experimental verifications. | SHUAI ZhiGang LIU WenJian LIANG WanZhen SHI Qiang CHEN Hui | 2013 | Science China Chemistry2013，56，9： | 2 |
| 2 | A Universal Principle to Accurately Synthesize Atomically Dispersed Metal–N_4 Sites for CO_2 Electroreduction显示文摘Atomically dispersed metal-nitrogen sites-anchored carbon materials have been developed as effective catalysts for CO2 electroreduction(CO2 ER),but they still suffer from the imprecisely control of type and coordination number of N atoms bonded with central metal.Herein,we develop a family of single metal atom bonded by N atoms anchored on carbons(SAs-M-N-C,M=Fe,Co,Ni,Cu)for CO2 ER,which composed of accurate pyrrole-type M-N4 structures with isolated metal atom coordinated by four pyrrolic N atoms.Benefitting from atomically coordinated environment and specific selectivity of M-N4 centers,SAs-Ni-N-C exhibits superior CO2 ER performance with onset potential of-0.3 V,CO Faradaic efficiency(F.E.) of 98.5%at-0.7 V,along with low Tafel slope of 115 mV dec-1 and superior stability of 50 h,exceeding all the previously reported M-N-C electrocatalysts for CO2-to-CO conversion.Experimental results manifest that the different intrinsic activities of M-N4 structures in SAs-M-N-C result in the corresponding sequence of Ni> Fe> Cu> Co for CO2 ER performance.An integrated Zn-CO2 battery with Zn foil and SAs-Ni-N-C is constructed to simultaneously achieve CO2-to-CO conversion and electric energy output,which delivers a peak power density of 1.4 mW cm-2 and maximum CO F.E.of 93.3%. | Wanzhen Zheng Feng Chen Qi Zeng Zhongjian Li Bin Yang Lecheng Lei Qinghua Zhang Feng He Xilin Wu Yang Hou | 2020 | Nano-Micro Letters2020，12，9： | 2 |
| 3 | A fast synthetic strategy for high-quality atomically thin antimonene with ultrahigh sonication power显示文摘Recent theoretical studies revealed that two-dimensional (2D) antimonene hasattractive characteristics, such as superior photothermal conductivity, absorptionover a wide range, high mobility, and good spintronic properties. Herein, we reporta reliable liquid phase exfoliation (LPE) route for the preparation of high-qualityhigh-stability atomically thin (AT) antimonene via high ultrasonic power. TheAT antimonene delivers a high specific capacity of up to 860 mA.h.g-1, with highrate capability and good cycling stability as an anode of a sodium ion battery(SIB). The good conductivity and 2D structure endow AT antimonene with moreactive sites for sodium storage, a facilitated pathway for electron transfer andmass transport, and the capability to reduce the volume expansion during thedischarge-charge process. | Wanzhen Lin Yaping Lian Guang Zeng Yanyan Chen Zhenhai Wen Huanghao Yang | 2018 | Nano Research2018，11，11： | 2 |
| 4 | Analytical derivative techniques for TDDFT excited-state properties:Theory and application显示文摘We review our recent work on the methodology development of the excited-state properties for the molecules in vacuum and liquid solution.The general algorithms of analytical energy derivatives for the specific properties such as the first and second geometrical derivatives and IR/Raman intensities are demonstrated in the framework of the time-dependent density functional theory(TDDFT).The performance of the analytical approaches on the calculation of excited-state energy Hessian has also been shown.It is found that the analytical approaches are superior to the finite-difference method on the computational accuracy and efficiency.The computational cost for a TDDFT excited-state Hessian calculation is only 2–3 times as that for the DFT ground-state Hessian calculation.With the low computational complexity of the developed analytical approaches,it becomes feasible to realize the large-scale numerical calculations on the excited-state vibrational frequencies,vibrational spectroscopies and the electronic-structure parameters which enter the spectrum calculations of electronic absorption and emission,and resonance Raman spectroscopies for medium-to large-sized systems. | CHEN DanPing LIU Jie MA HuiLi ZENG Qiao LIANG WanZhen | 2014 | Science China Chemistry2014，57，1： | 1 |
| 5 | Prevalence of chronic obstructive pulmonary disease in China: A large, population-based survey显示文摘 | Nanshan Z Chen W Wanzhen Y | 2007 | Am J Respir Crit Care Med2007，176，8： | 1 |
| 6 | Prevalence of Chronic Obstructive Pulmonary Disease in China显示文摘 | Nanshan Zhong Chen Wang Wanzhen Yao | 2007 | American Journal of Respiratory and Critical Care Medicine2007，176，： | 1 |
| 7 | Prevalence of Chronic Obstructive Pulmonary Disease in China 显示文摘 | Nanshan Z Chen W Wanzhen Y | 2007 | American Journal of Respiratory and Critical Care Medicine2007，176，8： | 1 |
| 8 | Patients with chronic obstructive pulmonary disease with acute aggravating period of serum calcitonin original level change and clinical significance显示文摘 | Changchun Yao Wanzhen Chen Yagong | 2006 | The tuberculosis and respiratory journal2006，29，： | 1 |
| 9 | Prevalence of chro- nic obstructive pulmonary disease in China a large, popula- tion-based survey显示文摘 | Nanshan Z Chen W Wanzhen Y | 2007 | Am J Respir Crit Care Med2007，176，： | 1 |
| 10 | Design and observations of satellite laser ranging system for daylight tracking at Shanghai Observatory显示文摘 | Fumin Yang Chikun Xiao Wanzhen Chen Zhongping Zhang Detong Tan Xiangdong Gong Juping Chen Huang Li Jianhua Zhang | 1999 | Science in China Series A: Mathematics1999，，2： | 1 |
| 11 | Prevalence of chronic obstructive pulmonary disease in China : a large, population-based survey显示文摘 | Nanshan Zhong Chen Wang Wanzhen Yao | 2007 | Am J Respir Crit Care Med2007，176，8： | 1 |
| 12 | Prevalence of chronic Obstructive Pulmonary Disease in china 显示文摘 | Nanshan Zhong chen wang Wanzhen Yao | 2007 | AmJRespir Crit care Med2007，176，： | 1 |
| 13 | Prevalence ofChronic Obstructive Pulmonary Disease in China显示文摘 | Nanshan Zhong Chen Wang Wanzhen Yao | 2007 | AmericanJournal of Respiratory and Critical Care Medicine2007，176，： | 1 |
| 14 | Respiratory tract nursing management of patients with tracheal intubation in intensive care unit 显示文摘 | Chen Wanzhen | 2012 | Chinese Journal of practical medicine2012，07，2： | 1 |
| 15 | Prevalence of chronic obstructive pulmonary disease in ehina显示文摘 | Nanshan Zhong Chen Wang Wanzhen Yao | 2007 | American Journal of Respiratory and Critical Care Medicine2007，176，： | 1 |
| 16 | Prevalence of chronic obstructive pulmony disease in china,a large population-based surrey显示文摘 | Nanshan Zheng Chen Wang Wanzhen Yao | 2007 | Am J Respir Crit Care Med2007，176，8： | 1 |
| 17 | Preva- lence of Chronic Obstructive Pulmonary Disease in China显示文摘 | Nanshan Zhong Chen Wang Wanzhen Yao | 2007 | Am J Respir Crit Care Med2007，176，8： | 1 |
| 18 | Prototype of space-borne LTT module and its ground tests显示文摘In order to develop the technique of Laser Time Transfer(LTT) ,Shanghai Astronomical Observatory has built a prototype of space-borne LTT module. The performance of the LTT module and the results of ground tests are discussed in the paper. The average precision of time difference between two rubidium clocks measured by laser pulses is 196 ps,and the uncertainty of measurement for the relative frequency differences is 1.2×10-13/2800 s. | WANG YuanMing YANG FuMin HUANG PeiCheng ZHANG ZhongPing CHEN WanZhen | 2008 | Science China(Physics,Mechanics & Astronomy)2008，51，8： | 1 |
| 19 | Prevalence of chronic obstructive pulmonary disease in China:a large population-based survey 显示文摘 | Nanshan Zhong Chen Wang Wanzhen Yao | 2007 | Am J Respir Crit Care Med2007，176，8： | 1 |
| 20 | Calculation of distribution of effective reflection area for space-borne laser retro-reflector array显示文摘The effective area of space-borne laser retro-reflector directly influences the intensity of the return signals for satellite laser ranging. The configuration of the retro-reflector array determines the effective area. The formula for the effective area of the space-borne retro-reflector array with different inclination angles at arbitrary celestial zone was deduced in this paper. As an example, the calculation result about effective area for the retro-reflector array of the Shenzhou-IV orbital module was given. | HU Jingfu LI Xin YANG Fumin CHEN Wanzhen ZHANG Zhongping | 2004 | Science China(Physics,Mechanics & Astronomy)2004，47，3： | 1 |
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