Article
Chemistry, Physical
Xu Yi, Fuqin Zhang, Jie Wang, Sumei Wang, Hui Tong, Tianhui An, Wan-Jing Yu
Summary: The nitrogen-doped carbon encapsulated silicon nanoparticles hybridized with 3D graphene network demonstrated high specific capacity and excellent cyclic performance as a novel nanocomposite for lithium-ion battery anodes. The enhanced electrochemical performance of the N-C/Si@G nanocomposite is largely attributed to the synergistic effect of the nitrogen-doped carbon shell and the large void space of the 3D graphene network.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Energy & Fuels
Ming-Kuen Huang, Jan Luxa, Mahendran Mathankumar, Zhi-Ting Huang, Chih-Han Wang, Jeng-Kuei Chang, Zdenek Sofer, Jeng-Yu Lin
Summary: Layered GeSe/thermally-reduced graphene oxide (TRG) composites show improved electrochemical performance and cycling stability in Li-ion batteries, due to the role of the TRG matrix.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Chemistry, Multidisciplinary
Ding Lou, Shuyi Chen, Strauss Langrud, Amir Abdul Razzaq, Mingyang Mao, Hammad Younes, Weibing Xing, Tim Lin, Haiping Hong
Summary: A facile and scalable method to fabricate Si-graphene nanocomposite as anode material for Li-ion batteries with high capacity and capacity retention performance was reported. The Si-graphene electrode showed excellent capacity retention and enhanced electrical conductivity.
APPLIED SCIENCES-BASEL
(2022)
Article
Chemistry, Physical
Jianze Wu, Bao Liu, Xiaoying Xia, Zhaoxin Wang, Yongfan Zhang, Shuping Huang
Summary: In this research, the properties of GaN monolayer, defective GaN monolayer with N vacancies (GaN-VN), and van der Waals heterostructures composed of them and graphene (GaN/graphene, GaN-VN/graphene) are systematically investigated using density functional theory. The calculations show that GaN transforms into a metal in the presence of nitrogen-vacancy defects, leading to improved lithium adsorption and electron motion. Additionally, the presence of the heterostructure and built-in electric field enhances electron and ion conductivity. These materials have higher maximum theoretical capacities compared to conventional graphite anode materials.
SURFACES AND INTERFACES
(2023)
Article
Materials Science, Multidisciplinary
Yaxiong Yang, Shugang Liu, Zhe Dong, Zhenguo Huang, Cheng Lu, Yongjun Wu, Mingxia Gao, Yongfeng Liu, Hongge Pan
Summary: This study demonstrates an effective hierarchical conformal coating strategy for high-performance microsized Si anodes, which enhances mechanical properties, promotes ionic diffusion, stabilizes electrode/electrolyte interfaces, and increases electronic conductivity. The optimized structure achieves high reversible capacity, cycling stability, and rate capability.
APPLIED MATERIALS TODAY
(2022)
Article
Chemistry, Physical
Deepak S. Gavali, Ranjit Thapa
Summary: In this study, borophosphene (BP-ML) and graphene-based multilayer heterostructure were proposed as potential anode materials for Li-ion batteries through first principles study. The conductive nature of BP-ML and graphene-based heterostructure was confirmed, while the role of Pz (pi) and Py (sigma) atomic orbital bands of the materials was investigated. The specific capacity of the proposed heterostructure ranged from 546 to 427 mA h/g, with a volume expansion of 14-16%. The presence of graphene helped maintain the open-circuit voltage (OCV) and diffusion barrier energy stability.
JOURNAL OF POWER SOURCES
(2023)
Article
Engineering, Chemical
Tianming Lu, Jiachang Zhao, Jing Yuan, Jingli Xu, Jun Jin
Summary: The PbSe@C nanoflowers were synthesized and used in lithium-ion batteries, showing remarkable cyclic and rate performance. The carbon component in the nanocomposite enhances electrical conductivity and prevents agglomeration, while the nanocomposite's pores provide space for volume expansion during charge and discharge. The research on nanoflower structure provides a new direction for improving the performance of lead-based anode materials.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Biochemistry & Molecular Biology
Antunes Staffolani, Hamideh Darjazi, Gilberto Carbonari, Fabio Maroni, Serena Gabrielli, Francesco Nobili
Summary: The composite anode material based on Fe3O4 and reduced graphene oxide shows high specific capacities and outstanding cycling stability, attributed to the synergistic effect of nanostructured Fe3O4 morphology and inter-particle conductivity of graphene nanosheets. The exceptional capacity delivered at high rates suggests potential application in high-power systems.
Article
Chemistry, Physical
Hyungeun Seo, Hae-Ri Yang, Youngmo Yang, Kyungbae Kim, Sung Hyon Kim, Hyunseung Lee, Jae-Hun Kim
Summary: In this study, a mass-producible porous Si-CoSi2-C composite was reported as a high-capacity anode material for Li-ion batteries. The composite exhibited greatly improved cycle and rate performance compared to conventional Si-C composites, attributed to the presence of CoSi2 and internal pores in the material. The proposed synthesis strategy provides a convenient and cost-effective method for producing Si-based materials for commercial LIB anodes.
Article
Chemistry, Analytical
Wenli Huang, Shuo Zhao, Jin Wang, Xiaochao Xian
Summary: Si@TiN/C composites were prepared by solvothermal process, mechanical blending, and subsequent calcination under N-2. The electrochemical properties of the composites were improved with the increasing TiN content, resulting in enhanced cycling stability and high-rate performance. The study is of significance for the design and fabrication of high-performance lithium-ion battery materials.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Wenli Huang, Shuo Zhao, Jin Wang, Xiaochao Xian
Summary: Si/TiC-SiC/C composites were prepared by solvothermal process, ball milling and subsequent calcination under Ar atmosphere. The microstructure of the composites was characterized, and the effects of TiC and SiC phases on the electrochemical properties were discussed. It was found that composites with higher TiC content exhibited superior electrochemical performances.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Review
Electrochemistry
Yao Liu, Wei Li, Yongyao Xia
Summary: While carbon, oxide, and silicon-based materials have limitations in current LIB applications, polyanionic compounds have gained attention for their ability to stabilize structures, adjust redox couples, and provide migration channels for guest ions, leading to electrode materials with long-term cycling, high energy density, and outstanding rate capability.
ELECTROCHEMICAL ENERGY REVIEWS
(2021)
Article
Chemistry, Physical
Mingcai Zhao, Juan Zhang, Xiaoguang Zhang, Kangkang Duan, Huikang Dong, Senentxu Lanceros-Mendez, Wei Wang, Qi Zhang
Summary: Although nanostructured Si can overcome volume expansion without breakage, in practical applications, Si/C composites are used as anode in lithium batteries instead. However, volume expansion of Si easily leads to rupture of Si/C composites, causing electrical contact loss and poor cyclability. Few Si/C composites reported so far can meet real application requirements. A high-strength, high-density, isotropic Si/C composite was applied in commercial cylindrical cells with NCM811, exhibiting a capacity retention of 83.8% over 1000 cycles and 89.0% at different voltage ranges.
ENERGY STORAGE MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Gangadhar Jella, Dillip K. K. Panda, Nawraj Sapkota, Michelle Greenough, Santanu P. P. Datta, Apparao M. M. Rao, Ravindran Sujith, Rajendra K. K. Bordia
Summary: Carbon-rich SiOC-I and silicon-rich SiOC-II were synthesized and their elemental and structural characteristics were evaluated. The composite anode (SiOC-II/GNP) achieved high specific capacity (744 mAh/g) and excellent cycling stability. The enhanced electrochemical performance was attributed to better electronic conductivity, lower charge-transfer resistance, and short ion diffusion length.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Sumei Wang, Fuqin Zhang, Wan-Jing Yu, Hui Tong, Fan Liu, Chaolei Wang
Summary: The electrochemical performance of lithium-ion battery anodes has been greatly improved by designing and synthesizing a S/N-co-doped graphene nanoribbons-wrapped silicon nanoparticle composite (SN-GNRs/Si), attributing to the unique structure and synergistic effect of the 3D network, which effectively alleviate the volume expansion effect of silicon and promote the transfer of Li+ ions and electrons.
Article
Biochemical Research Methods
Fan Pu, Clint M. Alfaro, Valentina Pirro, Zhuoer Xie, Zheng Ouyang, R. Graham Cooks
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2019)
Article
Biochemical Research Methods
Hannah Marie Brown, Fan Pu, Mahua Dey, James Miller, Mitesh V. Shah, Scott A. Shapiro, Zheng Ouyang, Aaron A. Cohen-Gadol, R. Graham Cooks
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2019)
Article
Biochemical Research Methods
Fan Pu, Sangeeta Pandey, Lane R. Bushman, Peter L. Anderson, Zheng Ouyang, R. Graham Cooks
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2020)
Article
Biochemical Research Methods
Patrick W. Fedick, Fan Pu, Nicolas M. Morato, R. Graham Cooks
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2020)
Article
Physics, Atomic, Molecular & Chemical
Patrick W. Fedick, Nicolas M. Morato, Fan Pu, R. Graham Cooks
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
(2020)
Article
Chemistry, Medicinal
Fan Pu, Nathaniel L. Elsen, Jon D. Williams
ACS MEDICINAL CHEMISTRY LETTERS
(2020)
Article
Chemistry, Analytical
Fan Pu, Andrew J. Radosevich, James W. Sawicki, David Chang-Yen, Nari N. Talaty, Sujatha M. Gopalakrishnan, Jon D. Williams, Nathaniel L. Elsen
Summary: The study introduces a high-throughput mass spectrometry system based on infrared matrix-assisted desorption electrospray ionization (IR-MALDESI) for biochemical assays and compound screening. This system allows for fast data acquisition and reliable analysis without the need for chromatography, demonstrating its potential for high-throughput lead discovery assays.
ANALYTICAL CHEMISTRY
(2021)
Article
Biochemical Research Methods
Kevan T. Knizner, Michael C. Bagley, Kenneth P. Garrard, Jan-Peter Hauschild, Fan Pu, Nathaniel L. Elsen, Jon D. Williams, David C. Muddiman
Summary: Infrared matrix-assisted laser desorption ionization (IR-MALDESI) combines the advantages of electrospray ionization (ESI) and matrix-assisted laser desorption ionization (MALDI) and is a valuable tool for high-throughput screening (HTS) analysis. The optimized timing of the C-trap in IR-MALDESI can reduce ambient ion accumulation and maximize analyte ion accumulation. Additionally, this method can be used to measure intact antibodies in large molecules.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Chemistry, Analytical
Andrew J. Radosevich, Fan Pu, David Chang-Yen, James W. Sawicki, Nan N. Talaty, Nathaniel L. Elsen, Jon D. Williams, Jeffrey Y. Pan
Summary: Infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI) mass spectrometry is a method for high-throughput label-free compound screening. This study introduces an ultra-high-throughput continuous motion IR-MALDESI sampling approach and demonstrates its potential in parallel kinetics studies and practical applications.
ANALYTICAL CHEMISTRY
(2022)
Article
Biochemical Research Methods
Kevan T. Knizner, Michael C. Bagley, Fan Pu, Nathaniel L. Elsen, Jon D. Williams, David C. Muddiman
Summary: Mass spectrometry is an effective analytical tool in drug discovery. Infrared matrix-assisted laser desorption electrospray ionization mass spectrometry is a high-throughput platform that allows for rapid analysis. This study reports on optimal solvent compositions and normalization strategies to improve the data quality of direct analysis by IR-MALDESI-MS.
JOURNAL OF MASS SPECTROMETRY
(2022)
Article
Chemistry, Analytical
Fan Pu, Scott A. Ugrin, Andrew J. Radosevich, David Chang-Yen, James W. Sawicki, Nari N. Talaty, Nathaniel L. Elsen, Jon D. Williams
Summary: Mass spectrometry is widely used in the biopharmaceutical industry for protein characterization. In this study, a new technology called infrared matrix assisted laser desorption electrospray ionization (IR-MALDESI-MS) is introduced for high-throughput protein analysis. The system shows improved tolerance to salts and buffers compared to traditional methods and has significantly faster sample rates.
ANALYTICAL CHEMISTRY
(2022)
Article
Biochemical Research Methods
Kevan T. Knizner, Jacob P. Guymon, Kenneth P. Garrard, Guy Bouvree, Jeffrey Manni, Jan-Peter Hauschild, Kerstin Strupat, Kyle L. Fort, Lee Earley, Eloy R. Wouters, Fan Pu, Andrew J. Radosevich, Nathaniel L. Elsen, Jon D. Williams, Mark R. Pankow, David C. Muddiman
Summary: Infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI) is an ambient ionization source that combines the advantages of electrospray ionization and matrix-assisted laser desorption/ionization for high throughput screening and mass spectrometry imaging studies. The NextGen IR-MALDESI source, with its improved user-friendliness and versatility, can be coupled with various mass spectrometers, making it suitable for different research laboratories.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Biochemical Research Methods
Fan Pu, Kevan T. Knizner, Matthew T. Robey, Andrew J. Radosevich, Scott A. Ugrin, Nathaniel L. Elsen, Kenneth R. Durbin, Jon D. Williams
Summary: This study presents a new workflow for deconvoluting protein spectra and demonstrates its potential for high-throughput screening applications. By alleviating the data processing bottleneck, it is possible to analyze and report results for a large number of samples in a short period of time.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Review
Chemistry, Analytical
Fan Pu, Spencer Chiang, Wenpeng Zhang, Zheng Ouyang
Article
Chemistry, Analytical
Fan Pu, Wenpeng Zhang, Chao Han, Zheng Ouyang
ANALYTICAL METHODS
(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)