作者： 张海峰¹;，赵晋忠¹;，伊思静¹;，卢士香²; （¹山西农业大学基础部；²北京理工大学化学与化工学院）

出处： 原子与分子物理学报 2025 第42卷 第2期 P30-38

关键词： ZnO；Cu掺杂；缺陷共存；密度泛函理论；光催化

摘要： 采用密度泛函理论研究了Cu掺杂及缺陷共存对ZnO光催化性能的影响.计算时考虑了富O和贫O两种掺杂条件.研究结果表明富O条件有利于Cu的掺杂，贫O条件则产生抑制作用.当Cu掺杂浓度较低时，不论在何种掺杂条件下，Cu的主要掺杂方式均为Cu_Zn型.当Cu掺杂浓度较高时，富O条件下以C ...

作者： 孟令虎，张耀远，吴芹，黎汉生 （北京理工大学化学与化工学院）

出处： 现代化工 2024 第44卷 第1期 P29-33

关键词： 金属有机框架材料；CO₂环加成反应；离子液体；催化剂；环状碳酸酯

摘要： 离子液体改性的金属有机框架材料（MOFs@IL）作为一种高活性、高稳定性、易分离的新型催化剂在CO₂环加成反应研究中逐渐吸引人们的注意。从催化机理、合成策略、性能表现3个方面介绍了MOFs@IL材料在CO₂捕获及转化为环状碳酸盐领域最新研究进展，并对未来发 ...

作者： Yang, Ya'nan^1,2;Wang, Jiaqi¹;Wang, Zhe¹;Shao, Changxiang¹;Han, Yuyang¹;Wang, Ying¹;Liu, Xiaoting^1,2;Sun, Xiaotong^1,2;Wang, Liru^1,2;Li, Yuanyuan^1,2;Guo, Qiang^1,2;Wu, Wenpeng^1,2;Chen, Nan^1,2;Qu, Liangti³ （¹Beijing Inst Technol, Key Lab Photoelect Electrophoton Convers Mat, Key Lab Cluster Sci, Sch Chem & Chem Engn,Minist Educ China, Beijing 100081, Peoples R China.;²Yangtze Delta Reg Acad, Beijing Inst Technol, Jiaxing 314019, Peoples R China.;³Tsinghua Univ, Dept Chem, Key Lab Organ Optoelect & Mol Engn, Minist Educ, Beijing 100084, Peoples R China.）

出处： NANO-MICRO LETTERS 2024 Vol.16 No.1

关键词： POWER-GENERATION; GRAPHENE OXIDE; EFFICIENT; NANOWIRE; FIBER; FILMS

摘要： HighlightsAn efficient moist-electric generator with ultra-fast electric response to moisture is achieved by triggering Grotthuss protons hopping in t ...

作者： Zu, Haotian¹;Zhang, Shaobing¹;Liu, Ling¹;Zhang, Xiuhui¹ （¹Beijing Inst Technol, Sch Chem & Chem Engn, Key Lab Cluster Sci, Minist Educ China, Beijing 100081, Peoples R China.）

出处： ENVIRONMENTAL RESEARCH LETTERS 2024 Vol.19 No.1

关键词： PARTICLE FORMATION; COASTAL; GROWTH; AEROSOLS

摘要： The nucleation of iodic acid (HIO3) and iodous acid (HIO2) play a significant role in marine new particle formation (NPF) events. However, the inabili ...

作者： Chen, Na¹;Li, Quan-Song¹ （¹Beijing Inst Technol, Sch Chem & Chem Engn, Beijing Key Lab Photoelect Electrophoton Convers M, Key Lab Cluster Sci,Minist Educ, Beijing 100081, Peoples R China.）

出处： JOURNAL OF MATERIALS CHEMISTRY C 2024

关键词： ELECTRON-HOLE RECOMBINATION; METHYLAMMONIUM LEAD IODIDE; TOTAL-ENERGY CALCULATIONS; LEWIS-BASE PASSIVATION; PLANE-WAVE; AB-INITIO; DEFECT PASSIVATION; HALIDE PEROVSKITES; ION DIFFUSION; 1ST-PRINCIPLES

摘要： Passivation engineering has been recognized as a brilliant strategy to obtain stable and efficient perovskite solar cells (PSCs). The natural alkene l ...

作者： Su, Zikai¹;Guan, Jingying¹;Liu, Yingzi¹;Shi, Daxin^1,2;Wu, Qin^1,2;Chen, Kangcheng^1,2;Zhang, Yaoyuan^1,2;Li, Hansheng^1,2 （¹Beijing Inst Technol, Sch Chem & Chem Engn, Beijing 102401, Peoples R China.;²Beijing Key Lab Chem Power Source & Green Catalysi, Beijing 100081, Peoples R China.）

出处： INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 2024 Vol.51 P1019-1043

关键词： COX-FREE HYDROGEN; SUPPORTED RU CATALYSTS; HIGHLY-ACTIVE CATALYST; NH3 DECOMPOSITION; H-2 PRODUCTION; CARBON NANOTUBES; PARTICLE-SIZE; HYDROLYTIC DEHYDROGENATION; RU/GAMMA-AL2O3 CATALYSTS; STRUCTURE SENSITIVITY

摘要： Hydrogen production by ammonia decomposition is an in-situ technology that facilitates the storage and transportation of hydrogen. Due to its excellen ...

作者： Wang, Meng-Meng^1,2;Wang, Ming³;Ji, Zhi-Wen¹;Huang, Xiao-Meng¹;He, Han-Bin¹;Ding, Xun-Lei^1,2,4;Ma, Jia-Bi³ （¹North China Elect Power Univ, Inst Clusters & Low Dimens Nanomat, Sch Math & Phys, Beinong Rd 2, Beijing 102206, Peoples R China.;²North China Elect Power Univ, Sch New Energy, Beinong Rd 2, Beijing 102206, Peoples R China.;³Beijing Inst Technol, Sch Chem & Chem Engn, Beijing Key Lab Photoelect Electrophoton Convers M, Minist Educ,Key Lab Cluster Sci, Liangxiang East Rd 8, Beijing 102488, Peoples R China.;⁴North China Elect Power Univ, Hebei Key Lab Phys & Energy Technol, Baoding 071000, Peoples R China.）

出处： CHEMCATCHEM 2024

关键词： MOLECULAR NITROGEN ADSORPTION; AMMONIA-SYNTHESIS; CLEAVAGE; ELECTROPHILICITY; NUCLEOPHILICITY; PRINCIPLE; CATALYSTS; DESIGN; COBALT

摘要： Mass spectrometry was used to observe the reactions between Y-Co heteronuclear metal carbide cluster anions Y1-3CoC1,2- and N-2 at room temperature. Y ...

作者： Zu, Haotian¹;Zhang, Shaobing¹;Li, Shuning^1,2;Liu, Ling¹;Zhang, Xiuhui¹ （¹Beijing Inst Technol, Sch Chem & Chem Engn, Key Lab Cluster Sci, Minist Educ China, Beijing 100081, Peoples R China.;²Natl Supercomp Ctr Tianjin, Tianjin 300451, Peoples R China.）

出处： ATMOSPHERIC ENVIRONMENT 2024 Vol.318

关键词： PARTICLE FORMATION; AEROSOLS; GROWTH; ENERGY

摘要： The new particle formation occurs frequently in polluted marine regions, which is related to urban pollutants such as sulfuric acid (H2SO4). However, ...

作者： Dou, Jing¹;Ma, Yue²;Niu, Xiuxiu¹;Zhou, Wentao²;Wei, Xueyuan¹;Dou, Jie¹;Cui, Zhenhua¹;Song, Qizhen¹;Song, Tinglu¹;Zhou, Huanping²;Zhu, Cheng¹;Bai, Yang¹;Chen, Qi¹ （¹Beijing Inst Technol, Expt Ctr Adv Mat, Sch Mat Sci & Engn, Beijing 100081, Peoples R China.;²Peking Univ, Sch Mat Sci & Engn, Beijing Key Lab Theory & Technol Adv Battery Mat, Key Lab Polymer Chem & Phys,Minist Educ,BIC ESAT, Beijing 100871, Peoples R China.）

出处： JOURNAL OF ENERGY CHEMISTRY 2024 Vol.88 P64-70

关键词： HALIDE PEROVSKITES; PERFORMANCE; STABILITY

摘要： Perovskite solar cell has gained widespread attention as a promising technology for renewable energy. However, their commercial viability has been ham ...

作者： Li, C.¹;Li, W.¹;Lashari, M. I.¹;Sun, C. W.¹;Wang, S. W.¹;Haghshenas, M.² （¹Beijing Inst Technol, Sch Mech Engn, Beijing 100081, Peoples R China.;²Univ Toledo, Dept Mech Ind & Mfg Engn, Toledo, OH 43606 USA.）

出处： INTERNATIONAL JOURNAL OF FATIGUE 2024 Vol.180

关键词： MECHANICAL-PROPERTIES; TENSILE PROPERTIES; GIGACYCLE FATIGUE; CRACK-PROPAGATION; MICROSTRUCTURE; ALLOY; INITIATION; GRADIENT; BEHAVIOR; FABRICATION

摘要： This study investigates the failure behavior of a TiC-reinforced titanium matrix composite (TMC) manufactured by laser powder bed fusion (L-PBF) throu ...