Article
Chemistry, Physical
Alberto Ambrosetti, S. Subashchandrabose, B. Liu, Pier Luigi Silvestrelli
Summary: By providing a full many-body description of van der Waals interactions in coupled carbyne-like chains and graphenic structures, this study demonstrates the effective tuning of modulus and a range of interfragment forces, leading to the introduction of mechanical strain and doping. This contrasts with conventional pairwise van der Waals predictions, offering viable pathways for detailed experimental control of nanoscale systems.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Yuan Jing, Chenxi He, Ningqiang Zhang, Yu Murano, Ryo Toyoshima, Hiroshi Kondoh, Yuuta Kageyama, Hironori Inomata, Takashi Toyao, Ken-ichi Shimizu
Summary: In this study, the addition of Ag was found to enhance the catalytic efficiency of RhOx/Al2O3 catalyst, especially at low temperatures. The promotional effect was mainly achieved by enhancing the thermal reduction of Rh oxide.
Article
Chemistry, Analytical
Xiang Li, Miao-Miao Chen, Hai-Feng Su, Mei-Lin Zhang, Su-Yuan Xie, Lan -Sun Zheng
Summary: Based on the Venturi self-pumping effect, R-sniffing MS is developed as a tool for direct and real-time mass spectrometric analysis of both gaseous and solid samples. It is capable of dual-mode operation and offers high sensitivity, fast response, and high spatial resolution.
ANALYTICAL CHEMISTRY
(2022)
Article
Engineering, Biomedical
Ka-Wai Lee, Huan Chen, Yingpeng Wan, Zhen Zhang, Zhongming Huang, Shengliang Li, Chun-Sing Lee
Summary: Diseases often involve abnormal expression of gaseous signaling molecules, and optical imaging with aggregation-induced emission (AIE) properties shows great potential for sensing these markers. This review summarizes recent progress in using AIE probes for the detection of disease-related gaseous signaling molecules, highlighting molecular designs and sensing mechanisms. The applications of these probes in cellular and animal levels are presented, and future directions for development are discussed.
Article
Physics, Particles & Fields
Mona Piotter, Dominick Cichon, Robert Hammann, Florian Joerg, Luisa Hoetzsch, Teresa Marrodan Undagoitia
Summary: We report on the first measurement of the time profile of the infrared scintillation response of gaseous xenon. The study reveals that the infrared light yield is comparable to the ultraviolet yield and the infrared pulses can be described by a fast and a slow component. The results also show that the size of the slow component decreases with increasing levels of impurities in the gas and the infrared emission is affected by the gas pressure.
EUROPEAN PHYSICAL JOURNAL C
(2023)
Article
Thermodynamics
Lijun Zhou, Xihua Zhou, Chaojun Fan, Gang Bai, Lei Yang, Yiqi Wang
Summary: Flue gas (CO2/N2) injection into coal seam achieves reduction of greenhouse gas emission and enhancement of methane recovery. An improved heat-solid-fluid coupling model is proposed to simulate the interaction between solid deformation, fluid transport, heat conservation, and porosity/permeability. Results show that the proposed model accurately represents the complex interactions and prevents the sharp reduction of permeability caused by pure CO2 injection. The effective extraction zone of flue gas injection expands faster than primary and CO2 promoted extraction, with influencing factors including initial permeability, injection pressure, N2 and CO2 adsorption strain ratio, injection temperature, and thermal expansion coefficient.
Article
Chemistry, Multidisciplinary
Sijia Hu, Loan Vo, Deepak Monteiro, Scot Bodnar, Philippe Prince, Carolyn A. Koh
Summary: This study experimentally investigated the effect of different structured hydrate antiagglomerants on gas hydrate crystal interparticle interactions and found that antiagglomerants with longer alkyl chain lengths performed better in suppressing interactions. Increasing salinity can enhance the effectiveness of antiagglomerants and reduce interparticle cohesive forces.
Article
Chemistry, Physical
Najah Rhimi, N. Dhahri, J. Laifi, F. Bourguiba, N. Abdelmoula, J. Dhahri, C. Castro, J. Juraszek
Summary: This research investigates the enhancement of electrical and optical performance of Na0.5Bi0.5TiO3 ceramic by introducing BiCu0.75W0.25O3 solid solution, resulting in a novel Lead-free solid solution 0.995(Na0.5Bi0.5TiO3)-0.005(BiCu0.75W0.25O3) with improved properties suitable for power electronic devices.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
J. Matthias Kahk, Georg S. Michelitsch, Reinhard J. Maurer, Karsten Reuter, Johannes Lischner
Summary: Theoretical calculations of core electron binding energies for solids have been challenging, but this work demonstrates the accurate results obtained from Delta SCF calculations. By exploiting the analogy between localized core holes and charged defects, excellent agreement between calculated and experimental data was achieved.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
Nickolas H. Pilgram, Arian Jadbabaie, Yi Zeng, Nicholas R. Hutzler, Timothy C. Steimle
Summary: The study characterizes the spectral properties of odd isotopologues of ytterbium monohydroxide and explores the measurement of parity and time reversal violating physics parameters. Experimental results provide validation for theoretical computational methods, revealing further insights into P,T-violating physics in the molecule.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Jae Young Kim, Duck Hyun Youn
Summary: This study demonstrates the feasibility of electrochemical reduction of gaseous CO2 at low-intermediate temperatures using a solid acid membrane cell, and introduces a Cu-based catalyst that can produce hydrocarbons and liquid fuels. This system offers a new possibility for addressing the challenges of producing hydrocarbons and liquid fuels from CO2 reduction.
Article
Chemistry, Multidisciplinary
Lianpei Zou, Lin Song, Man Li, Xuan Wang, Xiang Huang, Yaning Zhang, Bin Dong, John Zhou, Xiaowei Li
Summary: The study shows that anaerobic digestion has varying effects on the gas composition of syngas produced from different organic solid wastes, resulting in changes in the amounts of C, N, and S-containing gases. These findings provide a theoretical foundation for the environmentally-friendly application of syngas from digestates.
Article
Chemistry, Multidisciplinary
Jipeng Wu, Suting Weng, Xiao Zhang, Wenwu Sun, Wei Wu, Qiyu Wang, Xiqian Yu, Liquan Chen, Zhaoxiang Wang, Xuefeng Wang
Summary: Solid electrolyte interphase (SEI) is crucial for regulating interfacial ion transfer and safety in Lithium-ion batteries (LIBs). By using in situ heating X-ray photoelectron spectroscopy, the inherent thermal decomposition process of SEI is uncovered. Cryogenic transmission electron microscopy and gas chromatography are employed to investigate the composition, nanostructure, and released gases. The results show that even at room temperature, the organic components of SEI readily decompose, releasing flammable gases. The residual SEI after heat treatment is rich in inorganic components and provides a nanostructure model for a stable SEI with enhanced safety.
Article
Chemistry, Physical
Yingbo Xu, Jiayang Zhang, Min Xie, Yongjun Hu
Summary: The ion-molecule reaction plays a crucial role in the formation of interstellar chemical species. In this study, the infrared spectra of cationic binary clusters of acrylonitrile (AN) with methanethiol (CH3SH) and dimethyl sulfide (CH3SCH3) were measured and compared to previous studies. The results indicate that the ion-molecular reactions of AN with CH3SH and CH3SCH3 produce products with specific bonding structures, unlike the cyclic products observed in previous studies. This is attributed to the weaker acidity of CH bonds in sulfur-containing molecules, which hinders the formation of Michael addition-cyclization products.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Teresa de los Arcos, Christian Weinberger, Frederik Zysk, Varun Raj Damerla, Sabrina Kollmann, Pascal Vieth, Michael Tiemann, Thomas D. Kuehne, Guido Grundmeier
Summary: Near ambient pressure XPS in nitrogen atmosphere was used to study gas-solid interactions in different porous SiO2 films. Changes in the N1s core energy levels were observed, suggesting the adsorption behavior of nitrogen gas in the films. The effect of transient dipoles formed during N2 physisorption on the energy levels was discussed.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Weixin Huang, Shiran Zhang, Yu Tang, Yuting Li, Luan Nguyen, Yuanyuan Li, Junjun Shan, Dequan Xiao, Raphael Gagne, Anatoly I. Frenkel, Franklin (Feng) Tao
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2016)
Article
Chemistry, Physical
Jian Dou, Yu Tang, Luan Nguyen, Xiao Tong, Prem S. Thapa, Franklin Feng Tao
Article
Chemistry, Physical
Luan Nguyen, Lacheng Liu, Solomon Assefa, Christopher Wolverton, William F. Schneider, Franklin Feng Tao
Article
Chemistry, Physical
Juanjuan Liu, Shiran Zhang, Yan Zhou, Victor Fung, Luan Nguyen, De-en Jiang, Wenjie Shen, Jie Fan, Franklin Feng Tao
Article
Chemistry, Physical
Junjun Shan, Shiran Zhang, Tej Choksi, Luan Nguyen, Cecile S. Bonifacio, Yuanyuan Li, Wei Zhu, Yu Tang, Yawen Zhang, Judith C. Yang, Jeffrey Greeley, Anatoly I. Frenkel, Franklin Tao
Article
Chemistry, Physical
Luan Nguyen, Shiran Zhang, Lei Wang, Yuanyuan Li, Hideto Yoshida, Anitha Patlolla, Seiji Takeda, Anatoly I. Frenkel, Franklin (Feng) Tao
Article
Biotechnology & Applied Microbiology
Yu Tang, Luan Nguyen, Yuting Li, Nan Wang, Franklin (Feng) Tao
CURRENT OPINION IN CHEMICAL ENGINEERING
(2016)
Article
Chemistry, Multidisciplinary
Zili Wu, Yongqiang Cheng, Franklin Tao, Luke Daemen, Guo Shiou Foo, Luan Nguyen, Xiaoyan Zhang, Ariana Beste, Anibal J. Ramirez-Cuesta
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2017)
Article
Chemistry, Physical
Shiran Zhang, Yan Tang, Luan Nguyen, Ya-Fan Zhao, Zili Wu, Tian-Wei Goh, Jimmy Jingyue Liu, Yuanyuan Li, Tong Zhu, Wenyu Huang, Anatoly I. Frenkel, Jun Li, Franklin Feng Tao
Article
Chemistry, Physical
Yongwu Lu, Riguang Zhang, Baobao Cao, Binghui Ge, Franklin Feng Tao, Junjun Shan, Luan Nguyen, Zhenghong Bao, Tianpin Wu, Jonathan W. Pote, Baojun Wang, Fei Yu
Article
Chemistry, Multidisciplinary
Xiaoyan Zhang, Zaicheng Sun, Bin Wang, Yu Tang, Luan Nguyen, Yuting Li, Franklin Feng Tao
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2018)
Article
Instruments & Instrumentation
Luan Nguyen, Yu Tang, Yuting Li, Xiaoyan Zhang, Ding Wang, Franklin (Feng) Tao
REVIEW OF SCIENTIFIC INSTRUMENTS
(2018)
Article
Chemistry, Multidisciplinary
Luan Nguyen, Paul (Pengcheng) Tao, Huimin Liu, Mohamed Al-Hada, Matteo Amati, Hikmet Sezen, Yu Tang, Luca Gregoratti, Franklin (Feng) Tao
CHEMICAL COMMUNICATIONS
(2018)
Article
Chemistry, Multidisciplinary
Kazuhiro Takanabe, Abdulaziz M. Khan, Yu Tang, Luan Nguyen, Ahmed Ziani, Benjamin W. Jacobs, Ayman M. Elbaz, S. Mani Sarathy, Franklin (Feng) Tao
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2017)
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)