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Journal Articles

Single manganese atom anchored on N-doped graphene as a promising catalyst for nitrogen reduction reaction: A first-principles study

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Li Xu, Yong Tang, Mengge Cao, Kuan Zhou, Hongbao Li
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 189–198 (2025)
https://doi.org/10.1063/1674-0068/cjcp2403036
Published: April 2025
View articletitled, Single manganese atom anchored on N-doped graphene as a promising catalyst for nitrogen reduction reaction: A first-principles study
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Includes: Supplementary data
Journal Articles

Theoretical screening of transition metal single atoms anchored on γ-graphyne as electrocatalysts for nitrogen reduction reaction

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Hang Li, Qiang Fu, Zhenyu Li
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 63–72 (2025)
https://doi.org/10.1063/1674-0068/cjcp2310099
Published: February 2025
View articletitled, Theoretical screening of transition metal single atoms anchored on γ-graphyne as electrocatalysts for nitrogen reduction reaction
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Includes: Supplementary data
Journal Articles

Dynamic intermolecular space for reversible CO2 capture and release

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Jin Zhou, Yanan Wang, Xiang Zhu, Jin Zhao, Hrvoje Petek, Shijing Tan, Bing Wang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 8–16 (2025)
https://doi.org/10.1063/1674-0068/cjcp2409133
Published: February 2025
View articletitled, Dynamic intermolecular space for reversible CO2 capture and release
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Includes: Supplementary data
Journal Articles

Facet-dependent growth of Pd particles on polar surfaces of ZnO

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Shanshan Mo, Xiaolin Tan, Qingqing Wang, Dan Wang, Xiang Shao
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 45–53 (2025)
https://doi.org/10.1063/1674-0068/cjcp2404061
Published: February 2025
View articletitled, Facet-dependent growth of Pd particles on polar surfaces of ZnO
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Journal Articles

Vibrational state distribution of cations induced by tunneling ionization of carbon monoxide in femtosecond strong laser fields

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Junlin Yan, Juntong Chen, Di Liu, Yi Lian, Haiqiang Yao, Qian Wu, Hang Lv, Bing Yan, Haifeng Xu
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 737–744 (2024)
https://doi.org/10.1063/1674-0068/cjcp2408104
Published: December 2024
View articletitled, Vibrational state distribution of cations induced by tunneling ionization of carbon monoxide in femtosecond strong laser fields
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Journal Articles

Surface chemistry and photochemistry of cyclohexane on rutile TiO2(110)

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Wenyuan Wang, Longxia Wu, Cong Fu, Hong Xu, Zongfang Wu, Weixin Huang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 614–618 (2024)
https://doi.org/10.1063/1674-0068/cjcp2305045
Published: October 2024
View articletitled, Surface chemistry and photochemistry of cyclohexane on rutile TiO2(110)
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Journal Articles

Enhanced oxygen evolution reaction performance by dynamic adsorption of intermediates on C2N-supported single atom catalysts

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Chongchong Li, Li Sheng, Yanan Zhou, Wenhua Zhang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 662–670 (2024)
https://doi.org/10.1063/1674-0068/cjcp2305048
Published: October 2024
View articletitled, Enhanced oxygen evolution reaction performance by dynamic adsorption of intermediates on C2N-supported single atom catalysts
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Includes: Supplementary data
Journal Articles

Activity and adsorption behavior of oxygen on rutile TiO2(110)

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Rulin Sun, Xinlu Liu, Fangliang Li, Li Che
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 619–626 (2024)
https://doi.org/10.1063/1674-0068/cjcp2402018
Published: October 2024
View articletitled, Activity and adsorption behavior of oxygen on rutile TiO2(110)
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Includes: Supplementary data
Journal Articles

Modulation of electronic states in bimetallic-doped nitrogen-carbon based nanoparticles for enhanced oxygen reduction kinetics

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Chen Gong, Chenyu Yang, Wanlin Zhou, Hui Su, Qinghua Liu
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 513–521 (2024)
https://doi.org/10.1063/1674-0068/cjcp2304033
Published: August 2024
View articletitled, Modulation of electronic states in bimetallic-doped nitrogen-carbon based nanoparticles for enhanced oxygen reduction kinetics
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Includes: Supplementary data
Journal Articles

Coverage dependent dissociative adsorption of HCl on Au(111)

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Qiqi Shen, Lingjun Zhu, Jiawei Wu, Wenrui Dong, Xingan Wang, Tao Wang, Bin Jiang, Xueming Yang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 490–496 (2024)
https://doi.org/10.1063/1674-0068/cjcp2312145
Published: August 2024
View articletitled, Coverage dependent dissociative adsorption of HCl on Au(111)
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Includes: Supplementary data
Journal Articles

Ultra-soft desorption assisted mass spectrometry using picosecond infrared laser for the detection of ions in the liquid surface

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Ziyuan Li, Yue Wang, Tiantian Tong, Ziwei Chen, Shan Xi Tian
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 461–464 (2024)
https://doi.org/10.1063/1674-0068/cjcp2404048
Published: August 2024
View articletitled, Ultra-soft desorption assisted mass spectrometry using picosecond infrared laser for the detection of ions in the liquid surface
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Journal Articles

DFT studies of CO reaction behavior on α-Fe2O3(001) oxygen-vacancy surface in chemical looping reforming

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Hui-Xin Zhang, Zheng-Qing Huang, Tao Ban, Xue Su, Bolun Yang, Chun-Ran Chang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 116–124 (2024)
https://doi.org/10.1063/1674-0068/cjcp2304028
Published: February 2024
View articletitled, DFT studies of CO reaction behavior on α-Fe2O3(001) oxygen-vacancy surface in chemical looping reforming
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Includes: Supplementary data
Journal Articles

Effects of ambient air on functional stability of single-molecule spin logic gate

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Guang-Ping Zhang, Yun-Zhe Sun, Ni-Ping Shi, Chao-Jie Yu, Ya-Qi Kong, Hui Huang, Zi-Qun Wang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 36, 707–716 (2023)
https://doi.org/10.1063/1674-0068/cjcp2212176
Published: December 2023
View articletitled, Effects of ambient air on functional stability of single-molecule spin logic gate
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Includes: Supplementary data
Journal Articles

Temperature-programmed desorption spectrometer combining minimum gas load, fast substrate replacement, and comprehensive temperature control

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Shucai Xia, Shanshan Dong, Huizhi Xie, Jialong Li, Tianjun Wang, Weiqing Zhang, Li Che, Zefeng Ren, Dongxu Dai, Xueming Yang, Chuanyao Zhou
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 36, 373–383 (2023)
https://doi.org/10.1063/1674-0068/cjcp2212180
Published: August 2023
View articletitled, Temperature-programmed desorption spectrometer combining minimum gas load, fast substrate replacement, and comprehensive temperature control
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Journal Articles

Polydopamine anchored poly(2-methyl-2-oxazoline)/poly(4-vinyl pyridine) mixed brushes with switchable properties for pepsin adsorption

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Kang He, Fei Hu, Chaoshi Chen, Muhammad Atif, Yanmei Wang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 36, 339–348 (2023)
https://doi.org/10.1063/1674-0068/cjcp2106103
Published: June 2023
View articletitled, Polydopamine anchored poly(2-methyl-2-oxazoline)/poly(4-vinyl pyridine) mixed brushes with switchable properties for pepsin adsorption
Open the PDF for Polydopamine anchored poly(2-methyl-2-oxazoline)/poly(4-vinyl pyridine) mixed brushes with switchable properties for pepsin adsorption in another window
Journal Articles

Low temperature ammonia synthesis from atomic N and water on rutile TiO2(110)

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Yuemiao Lai, Qing Guo, Xiao Chen
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 36, 272–278 (2023)
https://doi.org/10.1063/1674-0068/cjcp2210152
Published: June 2023
View articletitled, Low temperature ammonia synthesis from atomic N and water on rutile TiO2(110)
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Includes: Supplementary data
Journal Articles

First principles study of atomic adsorption on (111) and (100) surfaces of iridium

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Kumneger Tadele, Qin-fang Zhang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 35, 916–926 (2022)
https://doi.org/10.1063/1674-0068/cjcp2101016
Published: December 2022
View articletitled, First principles study of atomic adsorption on (111) and (100) surfaces of iridium
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Journal Articles

Dynamic simulation on surface hydration and dehydration of monoclinic zirconia

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Guang-Jie Xia, Yang-Gang Wang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 35, 629–638 (2022)
https://doi.org/10.1063/1674-0068/cjcp2204062
Published: August 2022
View articletitled, Dynamic simulation on surface hydration and dehydration of monoclinic zirconia
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Includes: Supplementary data
Journal Articles

Understanding the effect of the exchange-correlation functionals on methane and ethane formation over ruthenium catalysts

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Chen Chen, Minzhen Jian, Jin-Xun Liu, Wei-Xue Li
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 35, 619–628 (2022)
https://doi.org/10.1063/1674-0068/cjcp2203049
Published: August 2022
View articletitled, Understanding the effect of the exchange-correlation functionals on methane and ethane formation over ruthenium catalysts
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Includes: Supplementary data
Journal Articles

Design of CuCs-doped Ag-based catalyst for ethylene epoxidation

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Qi-xing Wen, Haoxiang Xu, Yang Nan, Yuan Xie, Daojian Cheng
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 35, 589–599 (2022)
https://doi.org/10.1063/1674-0068/cjcp2111246
Published: August 2022
View articletitled, Design of CuCs-doped Ag-based catalyst for ethylene epoxidation
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Includes: Supplementary data