《Chinese Journal of Chemical Physics》

作品数：3936被引量：6020H指数：24
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《Chinese Journal of Chemical Physics》
主办单位：中国物理学会
最新期次：2025年2期更多>>
发文主题：DENSITY_FUNCTIONAL_THEORY英文分子REACTIONAUTHORS更多>>
发文领域：理学化学工程一般工业技术电子电信更多>>
发文作者：楼南泉马兴孝陈旸俞书勤何国钟更多>>
发文机构：中国科学技术大学中国科学院山东大学四川大学更多>>
发文基金：国家自然科学基金国家重点基础研究发展计划国家教育部博士点基金中国博士后科学基金更多>>
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Elimination of Buried Interface Defects for Highly Efficient and Stable Wide-Bandgap Perovskite Solar Cells
《Chinese Journal of Chemical Physics》2025年第2期231-239,I0020-I0034,I0040,I0041,共26页Kun Chen Yu Chen Yang Shen Weijian Tang Xiaojia Zheng WenHua Zhang Shangfeng Yang 
the support from Huacai Solar Co.Ltd。
As one of the important components of high-effi-ciency perovskite/silicon series devices,wide-bandgap(WBG)perovskite solar cells(PSCs)have been suffering from serious carrier transport barriers and huge open-circuit v...
关键词：Wide-bandgap Buried interface Carrier transport Stablility Defect passiva-tion 
Water-Assisted Growth of Bi_(2)Te_(3)-Sb_(2)Te_(3)Lateral Heterostructures for Enhanced Second Harmonic Generation
《Chinese Journal of Chemical Physics》2025年第2期240-248,I0035-I0038,I0041,共14页Xinfeng Wang Han Wang Yiran Wu Yulong Lian Jinyang Liu Sangen Zhao 
supported by the Natural Science Foundation of Fujian Province of China(2022J01646)。
The heterostructures incorporated with two or more distinctive two-dimensional(2D)materials have attracted great attention be-cause they could give rise to enhanced prop-erty in comparison with their individual counte...
关键词：Water-assisted growth Lateral heterostructure Topological insulator Second harmonic generation 
Instructions to Authors
《Chinese Journal of Chemical Physics》2025年第2期F0003-F0003,共1页
ABOUT THIS JOURNAL Launched in 1988,the Chinese Journal of Chemical Physics (CJCP)is devoted to reporting new and original experimental and theoretical research on interdisciplinary areas,with chemistry and physics gr...
关键词：CHEMISTRY Interdisciplinary Areas isi products Biological Sciences PHYSICS Materials Science 
Synthesis and Electrochemical Performance of Single-Atom Catalysts Derived from Metal-Organic Frameworks
《Chinese Journal of Chemical Physics》2025年第2期125-139,I0039,共16页Yu Zhang Xiaoxiao Su Xinmei Du Lan Wei Hao Zhang Ling Jiang 
supported by Henan Province Key Research and Development and Promotion of Science and Technology Project(No.25A150001);the National Natural Science Foundation of China(Nos.22409171,22125303,92361302,and 92061203).
Single-atom catalysts(SACs),as the rising stars in the field of catalytic science,are leading catalytic technology into an un-precedented new era.However,the synthe-sis of high-performance SACs with well-de-fined acti...
关键词：Single-atom catalysts Metal-organic frameworks High-temperature pyrolysis Characterization methods Electrocatalysis applications 
Machine Learning Density Functional Compatible with Dispersion Correction for Non-Covalent Interactions
《Chinese Journal of Chemical Physics》2025年第2期140-148,I0039,共10页Yapeng Zhang Zipeng An JingChun Wang Yao Wang Rui-Xue Xu GuanHua Chen Xiao Zheng 
supported by the National Natural Science Foundation of China(Nos.22393912,22425301,22373091,22173088);the AI for Science Foundation of Fudan University(No.Fudan X24AI023);the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB0450101).
Machine learning(ML)has demon-strated significant potential in en-hancing the predictive capabilities of density functional theory methods.In this study,we develop an ML model for correcting B3LYP-D,a density function...
关键词：Density functional theory Exchange-correlation functional Machine learning 
Single-Molecule Detection by Silicon-based Photonic Integrated Circuits Chip
《Chinese Journal of Chemical Physics》2025年第2期149-155,I0001,I0039,共9页Dong Li Chengda Pan Qiannan Huang Xiao Li Yan Zou Pengxiao Lv Xiujun Zheng Sarp Kerman Chunrui Hu Chang Chen 
supported by the National Key Research and Development Program(No.2022YFE0107400);the internal research funding from Photonic View Technology Technology Co.,Ltd.;the GuangCi Deep Mind Project of Ruijin Hospital Shanghai Jiao Tong University School of Medicine.
The single-molecule detection tech-nique plays a pivotal role in elucidat-ing the fundamental mechanisms of various scientific processes at the molecular level,and holds essential im-portance in multiple fields includ...
关键词：Single-molecule fluorescence Silicon photonics Photonic integrated circuit To-tal internal reflection fluorescence microscopy 
Vibrational Mode Selectivity in Dissociative Ionization of 2-Ethoxyethanol:An IR-VUV NRIFD-IR Spectroscopic Study
《Chinese Journal of Chemical Physics》2025年第2期156-163,I0002-I0006,I0039,共14页Licheng Zhong Ende Huang Guosheng Wang Jingning Xue Wenrui Dong Xueming Yang 
funded by the National Natural Science Foundation of China(No.22288201);the Chinese Academy of Sciences(GJJSTD20220001);the Innovation Program for Quantum Science and Technology(No.2021ZD0303305)。
In the current work,we studied the infrared spectroscopy of neutral and cationic 2-ethoxyethanol(CH_(3)CH_(2)O CH_(2)CH_(2)OH,2-EE)using the infrared(IR)-vacuum-ultraviolet(VUV)non-resonant ionization and fragmenta-ti...
关键词：Gas phase infrared spectroscopy Neutral and cationic molecular structure Vi-brational mode selectivity 
Absolute Cross Sections for Direct and Dissociative Ionizations of Oxygen Molecule Measured by 350-8000 eV Electron Impact
《Chinese Journal of Chemical Physics》2025年第2期164-171,I0039,共9页Weizhe Huang Taj Wali Khan Yuting Zhang Enliang Wang Xu Shan Xiangjun Chen 
supported by the National Key Research and Development Program of China(No.2022YFA1602502);the National Natural Science Foundation of China(No.12127804).
The direct and dissociative ionizations of oxygen molecule are investigated experimen-tally by electron collision with energies from 350 eV to 8000 eV.The absolute ionization cross sections for the product ions(O_(2)^...
关键词：Electron collision Absolute ionization cross section Oxygen molecule 
Global Diabatic Potential Energy Surfaces for the Two Lowest States of Li_(3)
《Chinese Journal of Chemical Physics》2025年第2期172-180,I0039,共10页Yingyue Hong Jiayu Huang Dong H.Zhang 
supported by the National Natural Science Foundation of China(Nos.22103084 and 22233003 to Jiayu Huang,and No.22288201 to Dong H.Zhang);the Innovation Program for Quantum Science and Technology(No.2021ZD0303305)to Dong H.Zhang;the Dalian Innovation Support Program(No.2021RD05)to Dong H.Zhang.
We constructed a new set of diabatic poten-tial energy surfaces(PESs)for the two low-est states involved in Li+Li_(2)reaction by us-ing the fundamental-invariant neural net-work method.The Li_(3)system exhibits a coni...
关键词：Diabatic potential energy matrix Conical intersection Fundamental invariant neural network Non-adiabatic effect 
Excited-State Proton Transfer Dynamics of Fisetin in Acetonitrile and Methanol
《Chinese Journal of Chemical Physics》2025年第2期181-188,I0007-I0012,I0040,共15页Long Yu Yongchun Tan Jie Zhao Jian Luo 
supported by the National Natural Science Foundation of China(No.22003066)。
Fisetin attracts intense attention not only due to its antioxidant and anticancer properties but also be-cause of wide applications in fluo-rescence probes and sensors,which are based on the dual fluorescence induced ...
关键词：Excited-state proton transfer Ultrafast spectroscopy Nonradiative relaxation Excited-state dynamics FLAVONOIDS 
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