Article
Chemistry, Applied
Sungha Hwang, Yongwoo Kim, Jaeha Lee, Eunwon Lee, Hyokyoung Lee, Changho Jeong, Chang Hwan Kim, Do Heui Kim
Summary: This study reveals that CO can enhance the NOx adsorption ability of Pd/CeO2 catalyst at low temperatures. A mechanism is proposed based on the changing CO oxidation ability with increased NOx adsorption over Pd/CeO2.
Article
Engineering, Environmental
Houlin Wang, Yue Peng, Bin Zhou, Jin Yuan, Rong Wang, Wenzhe Si, Junhua Li
Summary: This study compares the N2O and NH3 formation of Pd supported on Al2O3 and ZrO2 in NO reductions. The results show that the interaction between the Pd and the support material plays an important role in the formation of byproducts, with ZrO2 facilitating the production of N2O and NH3. In-situ spectroscopy methodology proves to be effective in revealing the mechanism of byproducts formation.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Haiyang Wang, Dongxia Zhang, Ruiyin Zhang, Hao Ma, Huimin Zhang, Ruijuan Yao, Miaomiao Liang, Yuzhen Zhao, Zongcheng Miao
Summary: Nanorod-structured (Au-Pd)/CeO2 catalysts with different Au/Pd ratios were prepared through dealloying and calcination treatment. Characterization techniques were used to study the structure and physicochemical properties. The (Pd0.15-Au0.15)/CeO2 catalyst calcined at 500°C showed the highest catalytic activity for CO oxidation, reaching 50% and 99% conversion temperatures as low as 50°C and 85°C, respectively. This superior catalytic property is attributed to the robust nanorod structure and introduction of Pd and Au.
Article
Chemistry, Applied
Fawei Lin, Xiao Jiang, Nuttakorn Boreriboon, Chunshan Song, Zhihua Wang, Kefa Cen
Summary: Binary supports such as TiO2-CeO2 and TiO2-ZrO2 significantly enhance CH3OH formation and selectivity, with Pd-Cu/Ti0.1Zr0.9O2 exhibiting the best catalytic performance. Lowering temperature further enhances CH3OH selectivity.
Article
Engineering, Environmental
Pan Zhang, Aling Chen, Tianwei Lan, Xiangyu Liu, Tingting Yan, Wei Ren, Dengsong Zhang
Summary: The role of phosphorus in metal oxide catalysts and its effect on the balance between acidity and redox properties were studied using CeO2 catalysts with different degrees of phosphorylation. The results showed that catalysts with lower phosphorus content exhibited superior NOx reduction performance, while catalysts with higher phosphorus content disrupted the balance between acidity and redox properties.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Chemistry, Physical
Pablo G. Lustemberg, Zhongtian Mao, Agustin Salcedo, Beatriz Irigoyen, M. Veronica Ganduglia-Pirovano, Charles T. Campbell
Summary: Research has shown that cationic Ni atoms in clusters at step edges on the CeO2(111) surface are the most active sites for methane conversion reactions, with their small size and high Ni chemical potential contributing to their activity. Density functional theory calculations have clarified the reasons behind this observation, highlighting the importance of the size and morphology of supported Ni nanoparticles, strong Ni-support bonding, and charge transfer at step edges for high catalytic activity, particularly in the activation barrier for C-H bond cleavage during CH4 dissociative adsorption. This knowledge is expected to inspire the development of more efficient catalysts for these reactions.
Article
Engineering, Chemical
Palle Ramana Murthy, Sehrish Munsif, Jing-Cai Zhang, Wei-Zhen Li
Summary: Alterations in catalyst morphology under different pretreatment conditions were studied, revealing that ceria-promoted Pd-supported SBA-15 catalyst exhibited better catalytic activity and stability for CO oxidation compared to zirconia-promoted Pd-supported SBA-15 catalyst.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Chemistry, Physical
Maria Cristina Campa, Giuseppe Fierro, Aidan M. Doyle, Simonetta Tuti, Carlotta Catracchia, Daniela Pietrogiacomi
Summary: Pt, Pd, and Rh supported on TiO2-ZrO2 and TiO2-ZrO2-CeO2 exhibit promising catalytic behavior for simultaneous selective catalytic reduction of NO and N2O, with CeO2 improving catalyst stability and activity.
SURFACES AND INTERFACES
(2023)
Article
Chemistry, Physical
Valery Muravev, Giulia Spezzati, Ya-Qiong Su, Alexander Parastaev, Fu-Kuo Chiang, Alessandro Longo, Carlos Escudero, Nikolay Kosinov, Emiel J. M. Hensen
Summary: In this study, two Pd/CeO2 single-atom catalysts for low-temperature CO oxidation were compared, revealing the impact of preparation method on their stability. Detailed in situ characterization linked the stability of the Pd single atoms to the properties of the Pd-CeO2 interface. Understanding such metal-support interactions is crucial for the rational design of stable single-atom catalysts.
Article
Engineering, Environmental
Yaeun Seo, Min Woo Lee, Hyun Jae Kim, Jin Woo Choung, ChangHo Jung, Chang Hwan Kim, Kwan-Young Lee
Summary: The study showed that doping with appropriate amounts of Ag can increase the oxygen storage capacity of the catalyst and form active Pd-0 species, leading to improved catalytic activity for the oxidation of CO and C3H6.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Chemistry, Physical
Enno Esser, Daniel Schroeder, Sven Kureti
Summary: This study investigates the reduction of NOx by H2 using Pt/W/ZrO2 catalysts below 200 degrees C under O2-rich conditions. The catalysts with different tungsten loadings were thoroughly characterized, and catalytic investigations showed that the sample with 5 wt% W had the highest efficiency. The W promoter promoted the structure of the ZrO2 surface, leading to a high number of active Pt sites. In addition, a side reaction involving NHx species formed at the interface of Pt and WOx/ZrO2 was observed.
JOURNAL OF CATALYSIS
(2023)
Article
Chemistry, Physical
Qian Xu, Xingwang Cheng, Ningqiang Zhang, Yi Tu, Lihui Wu, Haibin Pan, Jun Hu, Honghe Ding, Junfa Zhu, Yadong Li
Summary: In this study, model catalysts consisting of Pd NPs/CeO2 and Pd-1/CeO2 were successfully prepared and investigated. The formation of N-2 and N2O on Pd NPs/CeO2 surface and the absence of N2O on Pd-1/CeO2 surface were observed. The results provide direct experimental evidence supporting previous DFT calculations on the reaction mechanism of the NO + CO reaction.
Article
Energy & Fuels
Richuan Rao, Hanwen Liang, Chunming Hu, Huaze Dong, Xiongzi Dong, Yongqiang Tang, Song Fang, Qiang Ling
Summary: Ag-CeO2 catalysts were synthesized using different methods to study their catalytic performance in CO combustion. The surface chemical state of Ag and CeO2 nanoparticles significantly influenced the interaction at the Ag-CeO2 interface. Urea-assisted pyrolysis resulted in an interface with more metallic Ag species, improving the reductivity of CeO2 and enhancing the catalyst performance. Activated carbon-assisted pyrolysis led to an interface with more positively charged Ag+ ions, requiring higher CO conversion temperature. The addition of sodium salts promoted the transformation of the Ag-CeO2 interface, resulting in more Ce3+ cations and enhanced catalyst performance.
Article
Energy & Fuels
Xuan Hu, Dongsen Mao, Jun Yu, Zhaoteng Xue
Summary: A series of CuO-CexZr1-xOy mixed oxides with different Ce contents were prepared and their catalytic performance for CO oxidation was investigated. The catalyst with a Ce content of 0.7 (CuCe0.7Zr0.3) showed the best activity under both dry and moist atmospheres. The high activity of CuCe0.7Zr0.3 catalyst can be attributed to the presence of highly dispersed CuOx species and oxygen defect sites.
Article
Chemistry, Physical
Shuaihao Tang, Liang Xu, Bojun Peng, Feilong Xiong, Tong Chen, Xin Luo, Xin Huang, Haotian Li, Jian Zeng, Zongle Ma, Ling-Ling Wang
Summary: This study systematically investigated the effect of Ga doping on the performance of Pd/CeO2 SACs system using DFT calculations and transition state theory. Ga doping significantly enhanced the stability of Pd single atoms and promoted the catalytic performance of the CO oxidation reaction effectively. This work provides a new perspective for SACs modification.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)