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有机金属卤化物钙钛矿CH_(3)NH_(3)PbBr_(3)的各向异性Rashba效应
《原子与分子物理学报》2025年第6期153-158,共6页蔡锦鸿 余达明 周贤中 
国家自然科学基金(61704032)。
本研究通过密度泛函理论结合全相对论赝势对钙钛矿CH_(3)NH_(3)PbBr_(3)中的各向异性Rashba效应进行了深入研究.发现,Pb-Br八面体的畸变引起了导带最小间隙的三重态在自旋轨道耦合(SOC)效应和晶格形变下的分裂,导致在不同方向上呈现出...
关键词：钙钛矿 CH_3NH_3PbBr_3 密度泛函理论 自旋轨道耦合 
一类带有对数项的临界Choquard方程组的基态解
《中山大学学报(自然科学版)(中英文)》2025年第2期138-147,共10页桑彦彬 蔚艳 史娜 
山西省基础研究计划(202103021224198);山西省科技战略研究专项(202304031401075)。
考虑一类Choquard型耦合方程组,其中非线性项含有对数项和Hardy-Littlewood-Sobolev临界指数.当对数项的系数均为负值时,借助单个临界Choquard方程相应的局部极小点的存在性,建立了该系统对应能量泛函在Nehari流形中Palais-Smale序列的...
关键词：Choquard型系统 对数项 基态解 临界指数 耦合项 
Engineering high-performance chemiluminescent probes via enzymatic pocket targeting:high-throughput screening for ultralong afterglow imaging of orthotopic hepatocellular carcinoma
《Science China Chemistry》2025年第3期1175-1184,共10页Shuai Huang Shuaige Bai Ting Luo Bin Feng Min Liu Fan Zheng Shuang Huang Yanpeng Fang Dan Ding Wenbin Zeng 
supported by the National Natural Science Foundation of China (82272067,22107123,and M-0696);the Natural Science Foundation of Hunan Province (2022JJ80052)。
Hepatocellular carcinoma(HCC)is a highly aggressive liver malignancy and the main form of liver cancer.Early diagnosis and treatment of HCC can effectively reduce mortality.Carboxylesterase(CE)-specific detection and ...
关键词：chemiluminescent probes CARBOXYLESTERASE high-throughput inhibitor screening long-lived chemiluminescent image image-guided surgery 
CH_(2)BrCl分子在外电场作用下的光谱和解离性质
《计算物理》2025年第1期77-83,共7页马建军 邹勇 吴建光 
安徽高校自然科学研究重点项目(KJ2021A0388)资助。
采用密度泛函方法,在MP2-(FC)/6-311+G(d,p)水平上研究外电场对CH_(2)BrCl分子的基态结构、电偶极矩、总能量、最高占据分子轨道能级EH和最低未占据分子轨道能级EL、能隙EG、红外光谱及解离特性的影响。结果表明:随着加在C-Br键轴方向...
关键词：CH_(2)BrCl 外电场 光谱性质 降解 
A low-cost wide bandgap polymer based on carboxylate substituted thiazole enables efficient organic solar cells with remarkable batch-to-batch reproducibility
《Science China Chemistry》2025年第2期733-744,共12页Xiaodong Zhu Yuchen Lei Jianhong Gao Yanjun He Jinsicheng Liu Qian Guo Xiang Gao Liwei Xiong Xunchang Wang Renqiang Yang Zhitian Liu 
supported by the National Natural Science Foundation of China(52003209,51973169,52273195);Key R&D program of Hubei Province(2022BAA095);Open Key Fund Project of State Key Laboratory of Advanced Technology for Materials Synthesis and Processing of Wuhan University of Technology(2022-KF-34);Scientific Research Foundation of Wuhan Institute of Technology(K202023).
Constructing the low-cost,high-efficiency,and good batch-to-batch reproducibility polymer donor is vitally important for the application of organic solar cells.Herein,we develop a structurally simple carboxylate-subst...
关键词：carboxylate substituted thiazole polymer donor LOW-COST batch-to-batch reproducibility organic solar cells 
An integrated photocatalytic redox architecture for simultaneous overall conversion of CO_(2)and H_(2)O toward CH_(4)and H_(2)O_(2)
《Science Bulletin》2025年第3期373-382,共10页Muhammad Salman Nasir Bowen Sheng Ying Zhao Haotian Ye Jun Song Jinglin Li Ping Wang Tao Wang Xinqiang Wang Zhen Huang Baowen Zhou 
supported by the National Key Research and Development Program of China(2023YFB4004900);Shanghai Pilot Program for Basic Research-Shanghai Jiao Tong University(21TQ1400211);the Oceanic Interdisciplinary Program of Shanghai Jiao Tong University(SL2022MS007);the National Natural Science Foundation of China(22109095);the National Natural Science Foundation of China(62305005,62321004,and 62227817);Beijing Natural Science Foundation(z200004);the Natural Sciences and Engineering Research Council of Canada Discovery Grant(RGPIN-2017-05187);McGill Engineering Doctoral Award(MEDA),and Digital Alliance of Canada-computational resources.
Solar-driven overall conversion of CO_(2)and H_(2)O into fuels and chemicals shows an ultimate strategy for carbon neutrality yet remains a huge challenge.Herein,an integrated photocatalytic redox architecture of Zn N...
关键词：Zn nanoparticles GaN nanowires/Si Integrated redox architecture Artificial photosynthesis CH_(4)and H_(2)0_(2) 
稀土多核配合物[Ce^(Ⅲ)_(4)Ce^(Ⅳ)_(6)(μ_(3)⁃O)_(4)(μ_(4)⁃O)_(4)(acac)_(14)(CH_(3)O)_(6)]·2CH_(3)OH用于酰胺硼氢化还原
《无机化学学报》2025年第1期88-96,共9页王诗怡 陈超龙 孔祥建 郑兰荪 龙腊生 
国家自然科学基金(No.92161104,92161203,92361301)资助。
酰胺还原加氢是获得高附加值有机化合物的一种高效但极具挑战性的方法。本研究中,我们利用乙酰丙酮(Hacac)构筑的稀土多核配合物[Ce^(Ⅲ)_(4)Ce^(Ⅳ)_(6)(μ_(3)⁃O)_(4)(μ_(4)⁃O)_(4)(acac)_(14)(CH_(3)O)_(6)]·2CH_(3)OH(Ce_(10))作...
关键词：酰胺还原 稀土多核配合物 均相催化 机理 
The investigation of Gemini surfactant effects on CH_(4)and CO_(2)hydrates
《Chinese Journal of Chemical Engineering》2025年第1期167-174,共8页Lejun Wu Jingbo Gao Jing Li Haibo Liu Qiang Sun 
supported by National Natural Science Foundation of China(22278424,22127812,22008257).
As a kind of novel environmental-friendly surfactant,Gemini surfactant has attracted extensive research interests in its effects on gas hydrate formation.We investigated the effects of dioctyl sodium sulfosuccinate(AO...
关键词：Dioctyl sodium sulfosuccinate(AOT) CH_(4)/CO_(2)hydrates Thermodynamics/kinetics Hydrate promoter Kinetic model 
N-Heterocyclic Carbene Coordinated Cu Single Atoms on Poly(ionic Liquid)for Selective Electroreduction of CO_(2)to CH_(4) at High Current Density
《CCS Chemistry》2024年第12期3041-3052,共12页Biao Meng Yujie Cao Xiao Chi Xiaoling Liu Wenwen Guan Chao Wu Xiaojiang Yu Siyu Zhu Yizhong Huang Yu Zhou Shibo Xi Jun Wang 
the funding from the National Natural Science Foundation of China(grant nos.22072065,22178162,and 22222806);the Distinguished Youth Foundation of Jiangsu Province(grant no.BK20220053);the Six Talent Peaks Project in Jiangsu Province(grant no.JNHB-035);Agency for Science,Technology and Research(A*STAR)through Low Carbon Energy Research Finding Initiative(grant nos.LCERFI01-0033 and U2102d2006).
Finely adjusting the local environment of Cu single atom(SA)is crucial but challenging for the fabrication of electrocatalysts for the CO_(2)reduction reaction(CO_(2)RR)to produce clean energy methane(CH_(4)).Herein,p...
关键词：ELECTROCATALYSIS CO_(2)conversion poly(ionic liquid) single atom catalyst CH_(4)production 
CuAg双金属催化剂选择性还原CO_(2)为CH_(3)OH的研究
《现代化工》2024年第S02期208-214,共7页杨浩瑜 谢娟 王虎 
四川省产教融合示范项目“四川省光伏产业产教融合综合示范基地”资助(川财教[2022]106号)。
CO_(2)选择性电催化还原生成甲醇、乙醇等液相产物是CO_(2)资源化利用的有效途径,但该技术存在产物选择性差、法拉第效率低等问题。因此,以Ag修饰的泡沫铜为催化剂,在0.1 mol/L Na_(2)SO_(4)的电解质溶液中将CO_(2)电化学还原为液相产...
关键词：电催化CO_(2)还原 CuAg双金属催化剂 CH_(3)OH 
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