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| 1 | Effect of additives on the photovoltaic properties of organic solar cells based on triphenylamine-containing amorphous molecules显示文摘Photovoltaic performance of the organic solar cells(OSCs)based on 2-((5′-(4-((4-((E)-2-(5′-(2,2-dicyanovinyl)-3′,4-dihexyl-2,2′-bithiophen-5-yl)vinyl)phenyl)(phenyl)amino)styryl)-4,4′-dihexyl-2,2′-bithiophen-5-yl)methylene)malononitrile(L(TPAbTV-DCN))as donor and PC70BM as acceptor was optimized using 0.25 vol%high boiling point solvent additive of1-chloronaphthalene(CN),1,6-hexanedithiol(HDT),or 1,8-diodooctane(DIO).The optimized OSC based on L(TPA-bTVDCN)–PC70BM(1:2,w/w)with 0.25 vol%CN exhibits an enhanced power conversion efficiency(PCE)of 2.61%,with Voc of0.87 V,Jsc of 6.95 mA/cm2,and FF of 43.2%,under the illumination of 100 mW/cm2 AM 1.5 G simulated solar light,whereas the PCE of the OSC based on the same active layer without additive is only 1.79%.The effect of the additive on absorption spectra and the atomic force microscopy images of L(TPA-bTV-DCN)–PC70BM blend films were further investigated.The improved efficiency of the device could be ascribed to the enhanced absorption and optimized domain size in the L(TPA-bTV-DCN)–PC70BM blend film. | GAO Lei ZHANG Jing HE Chang ZHANG Yi SUN QingJiang LI YongFang | 2014 | Science China Chemistry2014，57，7： | 7 |
| 2 | Synthesis and photovoltaic properties of a star-shaped molecule based on a triphenylamine core and branched terthiophene end groups显示文摘A new star-shaped donor-acceptor molecule has been synthesized for application as the donor material in solution-processed bulk-heterojunction organic solar cells (OSCs). The molecule consists of a triphenylamine (TPA) unit as the core and a donor unit with three arms containing benzo[1,2,5]thiadiazole (BT) acceptor units and 5,5''-dihexyl-2,2′:3′,2″-terthiophene (tTh) end groups. The molecule, denoted S(TPA-BT-tTh), exhibits a broad absorption band in the wavelength range 300-650 nm and high hole mobility of 1.1×10 -4 cm2 V -1 s 1 . An OSC device based on S(TPA-BT-tTh) as donor and [6,6]-phenyl C71 -butyric acid methyl ester (PC 70 BM) as the acceptor (1:3, w/w) exhibited a power conversion efficiency of 2.28% with a short circuit current density of 6.39 mA/cm2 under illumination of AM.1.5, 100 mW/cm2 . | GAO Lei ZHANG Jing HE Chang SHEN SuLing ZHANG Yi LIU HongTao SUN QingJiang LI YongFang | 2013 | Science China Chemistry2013，56，7： | 4 |
| 3 | Progress and Prospects of the Strategic Priority Program on Space Science显示文摘In May 2018,the second phase of the Strategic Priority Program on Space Science(SPP II)was officially approved by the Chinese Academy of Sciences,in view of the significant scientific achievements of the first phase of the Strategic Priority Program on Space Science(SPP I)which includes 4 space science missions:the Dark Matter Particle Explorer(DAMPE),ShiJian-10(SJ-10),Quantum Experiments at Space Scale(QUESS)and Hard X-ray Modulation Telescope(HXMT).Aiming to address fundamental scientific questions,SPP II focuses on two major themes:How the universe and life originate and evolve and What is the relationship between the solar system and human beings.In areas that Chinese scientists have advantages,new space science missions including Graviational wave high-energy Electromagnetic Counterpart All-sky Monitor(GECAM),the Advanced space-based Solar Observatory(ASO-S),the Einstein Probe(EP),and Solar wind Magnetosphere Ionosphere Link Explorer(SMILE)have been approved in the framework of SPP II.This paper presents the research highlights of the SPP I,introduces the recent progress of SPP II,and puts forward the prospects for future development. | WANG Chi SUN Lilin FAN Quanlin LI Chao BAI Qingjiang | 2020 | 空间科学学报2020，40，5： | 2 |
| 4 | Evaluation of Oxidation of Ti-Al and Ti-Al-Cr Coatings Arc-ion Plated on Ti-60 High-temperature Titanium Alloy显示文摘High-temperature titanium alloy for aeroengine compressor applications suers from high-temperature oxidation and environmental corrosion,which prohibits long-term service of this kind alloy at temperatures above 600-C.In an attempt to tackle this problem,Ti-48Al(at.pct)and Ti-48Al-12Cr(at.pct)protective coatings were plated on the substrate of alloy Ti-60 by arc ion plating(AIP)method.Isothermal and cyclic oxidation tests were performed in static air at elevated temperatures.Phase composition,morphology of the coatings and distribution of elements were investigated by X-ray di-raction(XRD),scanning electron microscopy (SEM)and energy dispersive X-ray analysis(EDX).The results showed that the Ti-48Al coating exhibited good isothermal oxidation resistance during exposure at 800-C,but poorer resistance against oxidation at 900-C.By contrast Ti-48Al-12Cr coating demonstrated excellent isothermal oxidation resistance at both temperatures. Cyclic oxidation tests performed at 800-C indicated that both coatings demonstrated good cyclic oxidation resistance and no spallation of coatings was observed.But at 900-C only Ti-48Al-12Cr coating demonstrated excellent cyclic oxidation resistance. | Wei Yan Qingjiang Wang Jianrong Liu Shaoqiang Li Fengjiu Sun | 2009 | Journal of Materials Science & Technology2009，25，5： | 1 |
| 5 | Light emitting devices based on a bifunctional block copolymer containing crown ether spacers 显示文摘 | Sun Qingjiang Yang Chunhe Zhai Jin | 2003 | Synthetic Metals2003，137，： | 1 |
| 6 | Synthesis and electroluminescence of novel copolymers containing crown ether spacers 显示文摘 | Sun Qingjiang Wang Haiqiao Yang Chunhe | 2003 | J Mater Chem2003，13，： | 1 |
| 7 | Blue-green light-emission LECs based on block copolymers containing di ( α-naphthalene vinylene) benzene chromophores and tri( ethylene oxide) spacers 显示文摘 | Sun Qingjiang Wang Haiqiao Yang Chunhe | 2002 | Synth Met2002，128，： | 1 |
| 8 | Synthesis and electroluminescence of novel block copolymers containing crown ether spacers显示文摘 | Sun Qingjiang Wang Haiqiao Yang Chunhe | 2003 | J Mater Chem2003，13，： | 1 |
| 9 | Ionic liquid doped polymer light-emitting electrochemical cells 显示文摘 | Yang Chunhe Sun Qingjiang Qiao Jing | 2003 | J Phys Chem B2003，107，12： | 1 |
| 10 | Effects of antimony on the forma- tion process of 3PbO · PbSO4 · H2 O on Pb and Pb-Sb electrodes 显示文摘 | Sun Qingjiang Guo Yonglang | 2000 | Journal of Electroanalytical Chemistry2000，493，1： | 1 |
| 11 | Bright muhicoloured light-emitting diodes based on quantum dots显示文摘 | Qingjiang Sun | 2007 | Nature Photonics2007，1，： | 1 |
| 12 | Bright, Multicoloured Light-Emitting Diodes Based on Quantum Dots 显示文摘 | SUN Qingjiang Wang Y A LI Linsong | 2007 | Nature Photonics2007，1，12： | 1 |
| 13 | A luminescent copolymer containing PPV-based chromophores and flexible tri(ethylene oxide) spacers显示文摘 | Wang Haiqiao Sun Qingjiang Li Yongfang | 2002 | Reactive & Functional Polymers2002，52，： | 1 |
| 14 | Highly Efficient Quantum-Dot Light- Emitting Diodes with DNACTMA as a Combined Hole-Transporting and Electron-Blocking Layer 显示文摘 | Sun Qingjiang Guru Subramanyam Dai Li-ming | 2009 | Nano(S 1936-0851)2009，3，3： | 1 |
| 15 | Feasibility and physics potential of detecting ^(8)B solar neutrinos at JUNO显示文摘The Jiangmen Underground Neutrino Observatory(JUNO)features a 20 kt multi-purpose underground liquid scintillator sphere as its main detector.Some of JUNO's features make it an excellent location for^8B solar neutrino measurements,such as its low-energy threshold,high energy resolution compared with water Cherenkov detectors,and much larger target mass compared with previous liquid scintillator detectors.In this paper,we present a comprehensive assessment of JUNO's potential for detecting^8B solar neutrinos via the neutrino-electron elastic scattering process.A reduced 2 MeV threshold for the recoil electron energy is found to be achievable,assuming that the intrinsic radioactive background^(238)U and^(232)Th in the liquid scintillator can be controlled to 10^(-17)g/g.With ten years of data acquisition,approximately 60,000 signal and 30,000 background events are expected.This large sample will enable an examination of the distortion of the recoil electron spectrum that is dominated by the neutrino flavor transformation in the dense solar matter,which will shed new light on the inconsistency between the measured electron spectra and the predictions of the standard three-flavor neutrino oscillation framework.IfDelta m^(2)_(21)=4.8times10^(-5);(7.5times10^(-5))eV^(2),JUNO can provide evidence of neutrino oscillation in the Earth at approximately the 3sigma(2sigma)level by measuring the non-zero signal rate variation with respect to the solar zenith angle.Moreover,JUNO can simultaneously measureDelta m^2_(21)using^8B solar neutrinos to a precision of 20% or better,depending on the central value,and to sub-percent precision using reactor antineutrinos.A comparison of these two measurements from the same detector will help understand the current mild inconsistency between the value of Delta m^2_(21)reported by solar neutrino experiments and the KamLAND experiment. | Angel Abusleme Thomas Adam Shakeel Ahmad Sebastiano Aiello Muhammad Akram Nawab Ali Fengpeng An Guangpeng An Qi An Giuseppe Andronico Nikolay Anfimov Vito Antonelli Tatiana Antoshkina Burin Asavapibhop João Pedro Athayde Marcondes de André Didier Auguste Andrej Babic Wander Baldini Andrea Barresi Eric Baussan Marco Bellato Antonio Bergnoli Enrico Bernieri David Biare Thilo Birkenfeld Sylvie Blin David Blum Simon Blyth Anastasia Bolshakova Mathieu Bongrand Clément Bordereau Dominique Breton Augusto Brigatti Riccardo Brugnera Riccardo Bruno Antonio Budano Max Buesken Mario Buscemi Jose Busto Ilya Butorov Anatael Cabrera Hao Cai Xiao Cai Yanke Cai Zhiyan Cai Antonio Cammi Agustin Campeny Chuanya Cao Guofu Cao Jun Cao Rossella Caruso Cédric Cerna Jinfan Chang Yun Chang Pingping Chen Po-An Chen Shaomin Chen Shenjian Chen Xurong Chen Yi-Wen Chen Yixue Chen Yu Chen Zhang Chen Jie Cheng Yaping Cheng Alexander Chepurnov Davide Chiesa Pietro Chimenti Artem Chukanov Anna Chuvashova Gérard Claverie Catia Clementi Barbara Clerbaux Selma Conforti Di Lorenzo Daniele Corti Salvatore Costa Flavio Dal Corso Christophe De La Taille Jiawei Deng Zhi Deng Ziyan Deng Wilfried Depnering Marco Diaz Xuefeng Ding Yayun Ding Bayu Dirgantara Sergey Dmitrievsky Tadeas Dohnal Georgy Donchenko Jianmeng Dong Damien Dornic Evgeny Doroshkevich Marcos Dracos Frédéric Druillole Shuxian Du Stefano Dusini Martin Dvorak Timo Enqvist Heike Enzmann Andrea Fabbri Lukas Fajt Donghua Fan Lei Fan Can Fang Jian Fang Marco Fargetta Anna Fatkina Dmitry Fedoseev Vladko Fekete Li-Cheng Feng Qichun Feng Richard Ford Andrey Formozov Amélie Fournier Haonan Gan Feng Gao Alberto Garfagnini Alexandre Göttel Christoph Genster Marco Giammarchi Agnese Giaz Nunzio Giudice Franco Giuliani Maxim Gonchar Guanghua Gong Hui Gong Oleg Gorchakov Yuri Gornushkin Marco Grassi Christian Grewing Maxim Gromov Vasily Gromov Minghao Gu Xiaofei Gu Yu Gu Mengyun Guan Nunzio Guardone Maria Gul Cong Guo Jingyuan Guo Wanlei Guo Xinheng Guo Yuhang Guo Paul Hackspacher Caren Hagner Ran Han Yang Han Miao He Wei He Tobias Heinz Patrick Hellmuth Yuekun Heng Rafael Herrera Daojin Hong YuenKeung Hor Shaojing Hou Yee Hsiung Bei-Zhen Hu Hang Hu Jianrun Hu Jun Hu Shouyang Hu Tao Hu Zhuojun Hu Chunhao Huang Guihong Huang Hanxiong Huang Qinhua Huang Wenhao Huang Xingtao Huang Yongbo Huang Jiaqi Hui Wenju Huo Cédric Huss Safeer Hussain Antonio Insolia Ara Ioannisian Daniel Ioannisyan Roberto Isocrate Kuo-Lun Jen Xiaolu Ji Xingzhao Ji Huihui Jia Junji Jia Siyu Jian Di Jiang Xiaoshan Jiang Ruyi Jin Xiaoping Jing Cécile Jollet Jari Joutsenvaara Sirichok Jungthawan Leonidas Kalousis Philipp Kampmann Li Kang Michael Karagounis Narine Kazarian Amir Khan Waseem Khan Khanchai Khosonthongkee Patrick Kinz Denis Korablev Konstantin Kouzakov Alexey Krasnoperov Svetlana Krokhaleva Zinovy Krumshteyn Andre Kruth Nikolay Kutovskiy Pasi Kuusiniemi Tobias Lachenmaier Cecilia Landini Sébastien Leblanc Frederic Lefevre Liping Lei Ruiting Lei Rupert Leitner Jason Leung Demin Li Fei Li Fule Li Haitao Li Huiling Li Jiaqi Li Jin Li Kaijie Li Mengzhao Li Nan Li Nan Li Qingjiang Li Ruhui Li Shanfeng Li Shuaijie Li Tao Li Weidong Li Weiguo Li Xiaomei Li Xiaonan Li Xinglong Li Yi Li Yufeng Li Zhibing Li Ziyuan Li Hao Liang Hao Liang Jingjing Liang Jiajun Liao Daniel Liebau Ayut Limphirat Sukit Limpijumnong Guey-Lin Lin Shengxin Lin Tao Lin Jiajie Ling Ivano Lippi Fang Liu Haidong Liu Hongbang Liu Hongjuan Liu Hongtao Liu Hu Liu Hui Liu Jianglai Liu Jinchang Liu Min Liu Qian Liu Qin Liu Runxuan Liu Shuangyu Liu Shubin Liu Shulin Liu Xiaowei Liu Yan Liu Alexey Lokhov Paolo Lombardi Claudio Lombardo Kai Loo Chuan Lu Haoqi Lu Jingbin Lu Junguang Lu Shuxiang Lu Xiaoxu Lu Bayarto Lubsandorzhiev Sultim Lubsandorzhiev Livia Ludhova Fengjiao Luo Guang Luo Pengwei Luo Shu Luo Wuming Luo Vladimir Lyashuk Qiumei Ma Si Ma Xiaoyan Ma Xubo Ma Jihane Maalmi Yury Malyshkin Fabio Mantovani Francesco Manzali Xin Mao Yajun Mao Stefano MMari Filippo Marini Sadia Marium Cristina Martellini Gisele Martin-Chassard Agnese Martini Davit Mayilyan Axel Müller Ints Mednieks Yue Meng Anselmo Meregaglia Emanuela Meroni David Meyhöfer Mauro Mezzetto Jonathan Miller Lino Miramonti Salvatore Monforte Paolo Montini Michele Montuschi Nikolay Morozov Pavithra Muralidharan Massimiliano Nastasi Dmitry VNaumov Elena Naumova Igor Nemchenok Alexey Nikolaev Feipeng Ning Zhe Ning Hiroshi Nunokawa Lothar Oberauer Juan Pedro Ochoa-Ricoux Alexander Olshevskiy Domizia Orestano Fausto Ortica Hsiao-Ru Pan Alessandro Paoloni Nina Parkalian Sergio Parmeggiano Teerapat Payupol Yatian Pei Nicomede Pelliccia Anguo Peng Haiping Peng Frédéric Perrot Pierre-Alexandre Petitjean Fabrizio Petrucci Luis Felipe Piñeres Rico Oliver Pilarczyk Artyom Popov Pascal Poussot Wathan Pratumwan Ezio Previtali Fazhi Qi Ming Qi Sen Qian Xiaohui Qian Hao Qiao Zhonghua Qin Shoukang Qiu Muhammad Rajput Gioacchino Ranucci Neill Raper Alessandra Re Henning Rebber Abdel Rebii Bin Ren Jie Ren Taras Rezinko Barbara Ricci Markus Robens Mathieu Roche Narongkiat Rodphai Aldo Romani Bedřich Roskovec Christian Roth Xiangdong Ruan Xichao Ruan Saroj Rujirawat Arseniy Rybnikov Andrey Sadovsky Paolo Saggese Giuseppe Salamanna Simone Sanfilippo Anut Sangka Nuanwan Sanguansak Utane Sawangwit Julia Sawatzki Fatma Sawy Michaela Schever Jacky Schuler Cédric Schwab Konstantin Schweizer Dmitry Selivanov Alexandr Selyunin Andrea Serafini Giulio Settanta Mariangela Settimo Muhammad Shahzad Vladislav Sharov Gang Shi Jingyan Shi Yongjiu Shi Vitaly Shutov Andrey Sidorenkov FedorŠimkovic Chiara Sirignano Jaruchit Siripak Monica Sisti Maciej Slupecki Mikhail Smirnov Oleg Smirnov Thiago Sogo-Bezerra Julanan Songwadhana Boonrucksar Soonthornthum Albert Sotnikov Ondrej Sramek Warintorn Sreethawong Achim Stahl Luca Stanco Konstantin Stankevich DušanŠtefánik Hans Steiger Jochen Steinmann Tobias Sterr Matthias Raphael Stock Virginia Strati Alexander Studenikin Gongxing Sun Shifeng Sun Xilei Sun Yongjie Sun Yongzhao Sun Narumon Suwonjandee Michal Szelezniak Jian Tang Qiang Tang Quan Tang Xiao Tang Alexander Tietzsch Igor Tkachev Tomas Tmej Konstantin Treskov Andrea Triossi Giancarlo Troni Wladyslaw Trzaska Cristina Tuve Stefan van Waasen Johannes van den Boom Guillaume Vanroyen Nikolaos Vassilopoulos Vadim Vedin Giuseppe Verde Maxim Vialkov Benoit Viaud Cristina Volpe Vit Vorobel Lucia Votano Pablo Walker Caishen Wang Chung-Hsiang Wang En Wang Guoli Wang Jian Wang Jun Wang Kunyu Wang Lu Wang Meifen Wang Meng Wang Ruiguang Wang Siguang Wang Wei Wang Wenshuai Wang Xi Wang Xiangyue Wang Yangfu Wang Yaoguang Wang Yi Wang Yifang Wang Yuanqing Wang Yuman Wang Zhe Wang Zheng Wang Zhimin Wang Zongyi Wang Apimook Watcharangkool Lianghong Wei Wei Wei Yadong Wei Liangjian Wen Christopher Wiebusch Steven Chan-Fai Wong Bjoern Wonsak Diru Wu Fangliang Wu Qun Wu Wenjie Wu Zhi Wu Michael Wurm Jacques Wurtz Christian Wysotzki Yufei Xi Dongmei Xia Yuguang Xie Zhangquan Xie Zhizhong Xing Benda Xu Donglian Xu Fanrong Xu Jilei Xu Jing Xu Meihang Xu Yin Xu Yu Xu Baojun Yan Xiongbo Yan Yupeng Yan Anbo Yang Changgen Yang Huan Yang Jie Yang Lei Yang Xiaoyu Yang Yifan Yang Haifeng Yao Zafar Yasin Jiaxuan Ye Mei Ye Ugur Yegin Frédéric Yermia Peihuai Yi Xiangwei Yin Zhengyun You Boxiang Yu Chiye Yu Chunxu Yu Hongzhao Yu Miao Yu Xianghui Yu Zeyuan Yu Chengzhuo Yuan Ying Yuan Zhenxiong Yuan Ziyi Yuan Baobiao Yue Noman Zafar Andre Zambanini Pan Zeng Shan Zeng Tingxuan Zeng Yuda Zeng Liang Zhan Feiyang Zhang Guoqing Zhang Haiqiong Zhang Honghao Zhang Jiawen Zhang Jie Zhang Jingbo Zhang Peng Zhang Qingmin Zhang Shiqi Zhang Tao Zhang Xiaomei Zhang Xuantong Zhang Yan Zhang Yinhong Zhang Yiyu Zhang Yongpeng Zhang Yuanyuan Zhang Yumei Zhang Zhenyu Zhang Zhijian Zhang Fengyi Zhao Jie Zhao Rong Zhao Shujun Zhao Tianchi Zhao Dongqin Zheng Hua Zheng Minshan Zheng Yangheng Zheng Weirong Zhong Jing Zhou Li Zhou Nan Zhou Shun Zhou Xiang Zhou Jiang Zhu Kejun Zhu Honglin Zhuang Liang Zong Jiaheng Zou | 2021 | Chinese Physics C2021，45，2： | 0 |
| 16 | Analysis of Application of Environmental Engineering Construction in Ecological City显示文摘At present,with the continuous deterioration of the ecological environment and the gradual deepening of human understanding of the relationship between man and nature,the construction of an ecological city has become the trend and inevitable urban construction in the future.Finding harmonious development among cities,human beings,and the natural environment through the construction of the ecological environment is an inevitable choice for human and urban development.In order to provide sufficient theoretical exploration for the construction of ecological cities,this paper first introduced the two important concepts of ecological environment and environmental engineering and the necessity of ecological construction.On the basis of this,it analyzes the various obstacles and predicaments in the current construction of ecological cities and achieves the purpose of clarifying the problems;finally,it proposes corresponding countermeasures[1]. | Shutian Sun Kunxue Huang Yu Hu Zhixin Xing Qingjiang Su | 2018 | Smart Construction Research2018，2，4： | 0 |
| 17 | Associations between metabolic dysfunction-associated fatty liver disease and extrahepatic cancers:a cohort in China显示文摘Background:To evaluate the associations between a new definition of metabolic dysfunction-associated fatty liver disease(MAFLD)and extrahepatic cancers and compare with nonalcoholic fatty liver disease(NAFLD).Methods:We enrolled 151,391 Chinese participants in the Kailuan cohort.Hepatic steatosis was detected by abdominal ultrasound.Fine and Gray competing risk regression models were used to estimate hazard ratios(HRs)and 95%confidence interval(CI)between MAFLD and extrahepatic cancers.Results:MAFLD was associated with increased risk of prostate(HR=1.49,95%CI:1.07-2.08)and obesity-related cancers,including thyroid(HR=1.47,95%CI:1.01-2.12),kidney(HR=1.54,95%CI:1.18-2.00),colorectal(HR=1.15,95%CI:0.98-1.34)and breast cancer(HR=1.31,95%CI:1.04-1.66).The results were consistent in NAFLD vs.non-NAFLD and MAFLD-NAFLD vs.neither FLD.Compared with the neither FLD group,the NAFLD-only group had a higher risk of extrahepatic cancers(HR=1.57,95%CI:1.18-2.09),esophageal(HR=5.11,95%CI:2.25-11.62),and bladder cancer(HR=3.36,95%CI:1.23-9.17).The additional risk of extrahepatic cancers(HR=1.42,95%CI:1.17-1.73),esophageal(HR=4.37,95%CI:2.55-7.49),and breast cancer(HR=1.99,95%CI:1.01-3.92)was observed in MAFLD with metabolic dysregulation,and kidney(HR=1.83,95%CI:1.38-2.43),prostate(HR=1.46,95%CI:1.00-2.14)and breast cancer(HR=1.33,95%CI:1.02-1.74)was observed in MAFLD with overweight and metabolic dysregulation,as well as colorectal(HR=1.45,95%CI:1.07-1.96)and prostate cancer(HR=2.44,95%CI:1.42-4.21)in MAFLD with three risk factors.Additionally,MAFLD with excessive alcohol consumption would increase extrahepatic cancers(HR=1.14,95%CI:1.01-1.29)and breast cancer(HR=7.27,95%CI:2.33-22.69)risk.Conclusions:MAFLD and NAFLD shared similar excessive risks of obesity-related cancers,suggesting a driving role of FLD in these cancers.Metabolic dysregulation beyond obesity may play additional kidney,colorectal,and prostate cancer risks in MAFLD patients.It may be helpful in the clinic to relieve symptoms by treating metabolic disorders and preventing adverse outcomes of extrahepatic cancers. | Xiaojie Yuan Xiaomo Wang Shouling Wu Shuohua Chen Yanhong Wang Jierui Wang Ying Lu Yuanyuan Sun Qingjiang Fu Li Wang | 2023 | Hepatobiliary Surgery and Nutrition2023，12，5： | 0 |
| 18 | Theoretical studies of the structures and spectroscopic properties of the photoelectrochemical cell ruthenium sensitizers,C101 and J13显示文摘A variety of heteroleptic ruthenium sensitizers have been engineered and synthesized because of their higher light-harvesting efficiency and lower charge-recombination possibility than the well known homoleptic N3 dye.As such,a great deal of attention has been focused on sensitizers with the general formula Ru(ancillary-ligand)(anchoring-ligand)(NCS) 2,among which important examples are Ru(4,4'-bis(5-hexylthiophen-2-yl)-2,2'-bipyridine)(4,4'-carboxylic acid-4'-2,2'-bipyridine)(NCS)2(C101) and Ru(N-(4-butoxyphenyl)-N-2-pyridinyl-2-pyridinamine)(4,4'-carboxylic acid-4'-2,2'-bipyridine)(NCS)2(J13).In order to simulate experimental conditions with different pH values,the photosensitizing processes of these sensitizers possessing different degrees of deprotonation (2H,1H to 0H) have been explored theoretically in this work.Their ground/excited state geometries,electronic structures and spectroscopic properties are first calculated using density functional theory (DFT) and time-dependent DFT (TDDFT).The absorption and emission spectra of all the complexes in acetonitrile solution are also predicted at the TDDFT (B3LYP) level.The calculated results show that the ancillary ligand contributes to the molecular orbital (MO) energy levels and absorption transitions.It is intriguing to observe that the introduction of a thiophene group into the ancillary ligand leads directly to the increased energy of the absorption transitions in the 380-450 nm region.The calculations reveal that although deprotonation destabilizes the overall frontier MOs of the chromophores,it tends to exert a greater influence on the unoccupied orbitals than on the occupied orbitals.Consequently,an obvious blue shift was observed for the absorptions and emissions in going from 2H,1H to 0H.Finally,the optimal degree of deprotonation for C101 and J13 has also been evaluated,which is expected to lead to further improvements in the performance of dye-sensitized solar cells (DSSCs) coated with such sensitizers. | CHEN Jie BAI FuQuan WANG Jian SUN Lei PAN QingJiang ZHANG HongXing | 2012 | Science China Chemistry2012，55，3： | 0 |
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