Article
Chemistry, Physical
Lili Liu, Qiang Wang, Yan Liu, Liguo Gao, Bo Hou, Litao Jia, Debao Li
Summary: The study reveals that CO adsorption and dissociation on Ru-doped Co(100) surfaces are highly site-dependent and have a significant impact on CO activation. As coverage increases, the amount of saturated adsorbed CO increases while the amount of dissociated CO decreases.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Mei Qiu, Yi Li, Yongfan Zhang
Summary: The study reveals differences in the adsorption and conversion mechanisms of N-2 on different bimetallic catalyst surfaces, with the Co-4/Cu(100) catalyst showing the most favorable conversion of N-2 to NH3, providing important guidance for the design of Cu-based bimetallic catalysts.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Jack E. N. Swallow, Elizabeth S. Jones, Ashley R. Head, Joshua S. Gibson, Roey Ben David, Michael W. Fraser, Matthijs A. van Spronsen, Shaojun Xu, Georg Held, Baran Eren, Robert S. Weatherup
Summary: The reactions of H-2, CO2, and CO gas mixtures on the surface of Cu at 200 ? were investigated using AP-XPS and AtmP-NEXAFS spectroscopy. The order of gas dosing plays a crucial role in the catalyst chemical state, with metallic Cu preserved when H-2 is introduced before CO2. The addition of CO is essential for removing adsorbed oxygen and activating CO2 on the Cu surface, facilitating methanol synthesis.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Fan Wang, Xinxin Tian, Haijun Jiao
Summary: This study investigates the mutual interaction and synergistic effect of transition metals and supports in heterogeneous catalysis by substituting less coordinated and more active surface Mo-A atoms with Fe, Co, Ni, Cu, Pd, and Pt doping atoms. The metal loading affects the surface electronic structure and the adsorption behavior of various surface species. Different doping metals lead to varying thermodynamic favorability in the adsorption of surface species, providing insights for studying reaction mechanisms involving these surface species.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Ashok Kumar Ummireddi, Shilendra Kumar Sharma, Raj Ganesh S. Pala
Summary: The presence of tetraethylammonium (TEA(+)) cation enhances the CO2RR activity and major product formation on Cu and Ag surfaces while suppressing the HER activity on Ni and Fe surfaces. Computational studies provide insights into the underlying mechanisms and demonstrate the importance of TEA(+) cation in enhancing CO2RR activity and product selectivity.
JOURNAL OF CATALYSIS
(2022)
Article
Materials Science, Multidisciplinary
Meifeng Li, Hao Zhang, Yimin Zeng, Jing Liu
Summary: This study established the thermodynamics of hydrogen at various temperatures and pressures, investigated the adsorption and dissociation mechanisms of high-pressure hydrogen on iron and iron oxide surfaces, and found that supercritical hydrogen was more active in dissociating on the surfaces, making steels more susceptible to hydrogen embrittlement.
Article
Chemistry, Physical
Yuzhen Ge, Tangsheng Zou, Antonio J. Martin, Javier Perez-Ramirez
Summary: This study investigates the impact of highly dispersed metal oxides of Co-Cu, Cu-Fe, and Co-Fe m-FTS systems on the direct synthesis of higher alcohols (HA) and demonstrates the viability of ZrO2 as a promoter. The addition of ZrO2 significantly increases HA productivity, with the Cu(1)Co(4)@ZrO2-5 catalyst exhibiting a 2.5-fold increase compared to its ZrO2-free counterpart. The Co1Fe4@ZrO2-10 catalyst shows the most productive performance among similar systems.
Article
Chemistry, Multidisciplinary
Jing Li, Chunsong Li, Jiajie Hou, Wenqiang Gao, Xiaoxia Chang, Qi Lu, Bingjun Xu
Summary: Although the understanding of the reaction network of Cu remains incomplete, this study successfully intercepts elusive C1 and C2 intermediates and demonstrates the coupling reaction between alkyl groups and surface intermediates. Additionally, the study reveals that the connection between the reaction pathways leading to methane and C2+ products is mainly impeded by low coverages of energetic intermediates.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Fan Lin, Tahrizi Andana, Yiqing Wu, Janos Szanyi, Yong Wang, Feng Gao
Summary: N2O decomposition on Cu, Co, and Fe-exchanged SSZ-13 zeolite catalysts follows a dual-site mechanism or a single-site mechanism. The reaction is limited by N-O cleavage under low pressure and first-order kinetic regime. Fe-SSZ-13 exhibits lower activation barriers, leading to a higher N2O decomposition rate.
JOURNAL OF CATALYSIS
(2021)
Article
Chemistry, Physical
Junnan Qu, Yi Du, Peihong Ji, Zhongfu Li, Nan Jiang, Xinyue Sun, Lu Xue, Haoyu Li, Guoliang Sun
Summary: Efficient photocatalyst design is crucial for enhancing photocatalytic performance, with photogenerated carrier separation efficiency being a key factor. Combining two-dimensional material construction with elemental doping can further improve the separation of photogenerated carriers.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Environmental Sciences
Feiyue Jia, Donghua Zhao, Mengzhao Shu, Feifei Sun, Dongbo Wang, Chen Chen, Yu Deng, Xiaoming Zhu
Summary: Co/Fe-MIL-100, which was modified by adding Co2+ in the synthesis process, showed satisfactory performance in removing tetracycline. It had high removal efficiency in the initial concentration range and could still remove a significant amount of tetracycline at higher concentrations. The coexistence of inorganic anion decreased the adsorption capacity of tetracycline, with CO32- having a more noticeable inhibitory effect than Cl-. The Langmuir model fitting had a higher correlation coefficient and the kinetics better fitted a pseudo-second-order reaction.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Chemistry, Physical
Binli Wang, Ruimin Wang, Hongjun Fan
Summary: A rutile TiO2(100) surface has been found to have larger charge accumulation and lower symmetry, enabling it to accommodate holes and exhibit high photoactivity. Using a density functional theory method, the hole-scavenging behavior of various adsorbents and functional groups has been studied, revealing a good correlation between hole-scavenging ability and density of states. The predicted facet hole-scavenging ability order, rutile (100) > anatase (101) > rutile (110) > rutile (001), agrees with experimental observations.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Xiuqin Dong, Changdong Li, Minhua Zhang
Summary: By studying the adsorption and dissociation processes of H2S on the surfaces of Co-Cu catalysts, the interaction between the catalyst and H2S and the sulfur poisoning mechanism on the catalyst can be clarified. This provides insights for improving the sulfur tolerance of Co-Cu catalysts.
APPLIED SURFACE SCIENCE
(2022)
Article
Multidisciplinary Sciences
Matti Ropo, Marko Punkkinen, Pekko Kuopanportti, Muhammad Yasir, Sari Granroth, Antti Kuronen, Kalevi Kokko
Summary: The adsorption of oxygen on bcc Fe-Cr(100) surfaces with two different alloy concentrations was studied using ab initio density functional calculations. The hollow site was found to be the preferred adsorption site, and chromium atoms in the subsurface layers significantly affected the adsorption properties of neighbouring iron atoms. The possibility of utilizing the theoretical results in experimental research and developing semiclassical potentials for simulating Fe-Cr alloy oxidation was also discussed.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Inorganic & Nuclear
Jinkun Yin, Lingling Lv, Yaoqing Chu, Lianjiang Tan
Summary: Antibacterial Cu/Fe/N co-doped TiO2 nanopowder was prepared without using stabilizing agents, showing nanoscale particle size and anatase crystal form typical of TiO2. The mechanisms of high photocatalytic activity were elucidated based on XPS and UV-vis data. The nanopowder exhibited significant antibacterial effects and ultralow cytotoxicity.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)