Article
Chemistry, Physical
Michael A. Spencer, Jenelle Fortunato, Veronica Augustyn
Summary: By studying the effects of proton insertion on the HER activity of layered tungsten oxide hydrates, this research reveals the critical role of proton insertion in enabling high HER activity in tungsten oxides.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Kosuke Kawai, Masaki Fujita, Ryosei Iizuka, Atsuo Yamada, Masashi Okubo
Summary: Two-dimensional transition-metal carbides/nitrides (MXenes) have high capacitance, high-rate capability, and good cycle stability, making them ideal electrode materials for electrochemical energy storage devices. The different surface termination groups, such as -O, -OH, and -F, play an important role in the electrochemical properties of MXene electrodes.
Article
Chemistry, Physical
Fanhou Kong, Dan Sun, Yinzhao Rao, Ruixiang Zhang, Zelin Chen, Dan Wang, Xiaolong Yu, Hong Jiang, Changjiu Li
Summary: The study found that fluorination significantly affects the performance of VPLi cathode, leading to higher specific capacity and stability. VPFLi involves the conversion process between vanadium oxides and phosphorus oxides, contributing to improved cycling performance.
APPLIED SURFACE SCIENCE
(2022)
Review
Chemistry, Multidisciplinary
Ekaterina Pomerantseva
Summary: The use of electrical plants and grids for power generation and transmission requires an effective mechanism for energy storage. This can be achieved through the use of electrical energy storage devices such as batteries and supercapacitors. Rational design of new materials on an atomic level, including chemical composition, structure, morphology, and heterointerfaces, is crucial for developing batteries with improved performance for specific applications. A synthesis strategy called the chemical preintercalation synthesis approach is introduced in this Account, which allows for the preparation of new intercalation host oxides, hybrid materials, and compounds with oxide/carbon heterointerfaces as electrodes in intercalation batteries. The approach allows for the control of material properties at the atomic level and opens pathways for the preparation of materials with advanced functionalities.
ACCOUNTS OF CHEMICAL RESEARCH
(2023)
Article
Nanoscience & Nanotechnology
Yong Huang, Yuqing Wang, Panxing Bai, Yunhua Xu
Summary: The study reveals different storage mechanisms for Li, Na, and K in hard carbon anodes, with a slope at high voltage and a plateau at low voltage observed. The findings not only offer a fundamental understanding of alkali metal ions storage mechanisms in hard carbons but also help develop and design innovative electrode materials.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Physical
Liyuan Liu, Pierre-Louis Taberna, Bruce Dunn, Patrice Simon
Summary: In recent years, extensive research efforts have been focused on electrochemical energy storage materials to meet the urgent need for efficient energy storage devices in the automotive market. Electrochemical capacitors bridge the gap between batteries and other capacitors, but greater energy density is still needed for the future. Experimental approaches to modify the electrolyte-electrode interface and the use of analytical methods to characterize these interfaces are actively pursued to develop the next generation of high energy and high power performance ECs.
ACS ENERGY LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Shiwei Tao, Baris Demir, Ardeshir Baktash, Yutong Zhu, Qingbing Xia, Yalong Jiao, Yuying Zhao, Tongen Lin, Ming Li, Miaoqiang Lyu, Ian Gentle, Lianzhou Wang, Ruth Knibbe
Summary: This study demonstrates that the use of a partially fluorinated carbonate solvent can drive the formation of a beneficial fluorinated secondary interphase layer, which enhances the reversibility of anion (de-)intercalation processes and contributes to the overall cycling stability for a Zn-graphite dual-ion battery.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
H. Nefzi, F. Sediri
Summary: Two layered hybrid compounds were synthesized via the hydrothermal method, and their electrochemical performance was evaluated through various analyses. The kinetics of electrode reaction were found to be controlled by charge transfer and diffusion processes, with EIS measurements showing lower charge transfer benefiting the quicker transfer of Li+ ions. Additionally, lithium ion diffusion coefficients into the intercalation materials were determined after cycling.
Article
Chemistry, Physical
Cheng Zhang, Xun Zhan, Talha Al-Zoubi, Yanling Ma, Pei-Chieh Shih, Fangfang Wang, Wenxiang Chen, Saran Pidaparthy, Ryan M. Stephens, Qian Chen, Jian-Min Zuo, Hong Yang
Summary: This study investigates the effect of 3D nanostructures of birnessite MnO2 on the intercalation of Mg2+ ions. Flower-like 3D nanostructures were synthesized through an electrochemical conversion reaction. The scanning transmission electron microscopy (STEM) technique revealed the energy storage mechanism of Mg2+ ions in these 3D nanostructures.
Article
Materials Science, Multidisciplinary
Santosh Kumar Radha, Walter R. L. Lambrecht, Brian Cunningham, Myrta Gruning, Dimitar Pashov, Mark van Schilfgaarde
Summary: The optical response functions and band structures of LiCoO2 were studied using various levels of approximation, from DFT in GGA to QSGW with and without ladder diagrams as well as the BSE approach. The QSGW method overestimated the band gap, with electron-hole or excitonic effects influencing the quasiparticle gap and absorption peaks. The excitons were found to be strongly localized and comparisons to experimental data were made.
Article
Chemistry, Physical
Jeffrey S. Horner, Grace Whang, David S. Ashby, Igor Kolesnichenko, Timothy N. Lambert, Bruce S. Dunn, A. Alec Talin, Scott A. Roberts
Summary: The galvanostatic intermittent titration technique (GITT) is commonly used to evaluate solid-state diffusion coefficients in electrochemical systems, but existing analysis methods have limitations in validating the derived diffusion coefficients. Researchers employed a direct-pulse fitting method to interpret GITT data and found that non-ideal diffusion coefficients were significantly more accurate than ideal ones extracted using conventional methods. This study also demonstrated the validity of a single-particle approach when the modeled radius is proportional to the total volume-to-surface-area ratio of the system.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Energy & Fuels
Liuying Li, Yaxing Ren, Kieran O'Regan, Upender Rao Koleti, Emma Kendrick, W. Dhammika Widanage, James Marco
Summary: A reduced-order electrochemical model-based observer is proposed to estimate cathode and anode potentials for real-time control applications, allowing real-time detection of anode potential to prevent battery degradation caused by lithium plating.
JOURNAL OF ENERGY STORAGE
(2021)
Article
Chemistry, Physical
Yuta Ito, Changhee Lee, Yuto Miyahara, Shigeaki Yamazaki, Takaya Yamada, Kentaro Hiraga, Takeshi Abe, Kohei Miyazaki
Summary: This study found that F- anions can be electrochemically inserted or deinserted into or from carbon based materials using graphite fluoride (GF) and a high potential Li-based organic electrolyte. The study also observed the formation of amorphous carbon and LiF after insertion, with a discharge capacity almost in line with the theoretical value. The electrochemical properties were determined to be the result of the reversible insertion and deinsertion of F- anions triggered by the formation of LiF.
CHEMISTRY OF MATERIALS
(2022)
Article
Energy & Fuels
Dae Hyun Kim, Gi Dae Park, Yun Chan Kang
Summary: In this study, yolk-shell structures consisting of cobalt hydroxy chloride yolk and carbon shell were synthesized and showed promising electrochemical performance and stable cycling performance as anode materials for lithium-ion batteries.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Chemistry, Inorganic & Nuclear
Erick A. Lawrence, Xudong Huai, Dongwook Kim, Maxim Avdeev, Yu Chen, Grigorii Skorupskii, Akira Miura, Austin Ferrenti, Moritz Waibel, Shogo Kawaguchi, Nicholas Ng, Bobby Kaman, Zijian Cai, Leslie Schoop, Satya Kushwaha, Feng Liu, Thao T. Tran, Huiwen Ji
Summary: Transition-metal dichalcogenides (TMDs) have diverse properties and high degree of tunability, making them attractive for research. Interest in magnetically intercalated TMDs has increased, especially for compositions with the absence of inversion symmetry. In this study, the magnetic ground state of Fe1/4NbS2 was determined to be an A-type antiferromagnet, and the magnetic properties were found to be sensitive to the Fe site order.
INORGANIC CHEMISTRY
(2023)
Article
Metallurgy & Metallurgical Engineering
Dehai Ping, Tianwei Liu, Masato Ohnuma, Takahito Ohmura, Taichi Abe, Hidehiro Onodera
ISIJ INTERNATIONAL
(2017)
Article
Metallurgy & Metallurgical Engineering
Dehai Ping, Alok Singh, Shuqi Gu, Takahito Ohmura, Masato Ohnuma, Taichi Abe, Hidehiro Onodera
ISIJ INTERNATIONAL
(2018)
Article
Materials Science, Multidisciplinary
Taichi Abe, Kiyoshi Hashimoto, Masato Shimono
MATERIALS TRANSACTIONS
(2018)
Article
Nanoscience & Nanotechnology
Taichi Abe, Ying Chen, Arkapol Saengdeejimg, Yoshinao Kobayashi
SCRIPTA MATERIALIA
(2018)
Article
Thermodynamics
Taichi Abe, Masato Shimono, Kiyoshi Hashimoto, Cenk Kocer
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2018)
Article
Multidisciplinary Sciences
D. H. Ping, S. Q. Guo, M. Imura, X. Liu, T. Ohmura, M. Ohnuma, X. Lu, T. Abe, H. Onodera
SCIENTIFIC REPORTS
(2018)
Article
Materials Science, Multidisciplinary
Taichi Abe
MATERIALS TRANSACTIONS
(2020)
Article
Materials Science, Multidisciplinary
Toshio Osada, Toru Hara, Masanori Mitome, Shingo Ozaki, Taichi Abe, Kiichi Kamoda, Takahito Ohmura
SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS
(2020)
Article
Thermodynamics
Masao Morishita, Taichi Abe, Ai Nozaki, Ikuo Ohnuma, Keisuke Kamon
THERMOCHIMICA ACTA
(2020)
Article
Thermodynamics
Wenchong Zhou, Maaouia Souissi, Taichi Abe, Ryoji Sahara, Patrick H. -L. Sit, Koichi Tsuchiya
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2020)
Review
Materials Science, Multidisciplinary
Toshiyuki Koyama, Yuhki Tsukada, Taichi Abe
Summary: By applying the CALPHAD method and phase-field method, we can gain a better understanding of the grain boundary phase and microstructural developments in Nd-Fe-B hard magnets. The liquid phase is a useful phase for covering grains, and the addition of Cu affects the microstructural morphology.
SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS
(2021)
Article
Chemistry, Physical
Yohei Nomura, Jun Uzuhashi, Tatsuya Tomita, Toru Takahashi, Hidenori Kuwata, Taichi Abe, Tadakatsu Ohkubo, Kazuhiro Hono
Summary: The nanocrystalline structure and soft magnetic properties of melt-spun Fe-B-P-Cu ribbons are greatly influenced by the heating rates during crystallization of amorphous precursors. Higher heating rates lead to larger size and higher Cu concentration of the Cu clusters in both P-rich and B-rich ribbons. Solute partitioning behaviors between alpha-Fe and residual amorphous phase are consistent with the Fe-P-B ternary phase diagram, with P segregating at the amorphous/alpha-Fe interface during crystallization.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Taichi Abe
Summary: This study expanded the description of short-range ordering to multi-component systems in high-entropy alloys (HEAs), estimating the effects based on CALPHAD-type thermodynamic assessments. It found that excess Gibbs energy and excess entropy due to SRO in FCC solutions were higher than those in BCC solutions, with the total contribution to Gibbs energy in HEAs around -1 kJ mol(-1) in BCC-based systems and -0.2 kJ mol(-1) in FCC-based systems at 1000 K. The variations in lower-order systems can disappear in HEAs due to the mixing of multiple elements, as suggested in previous work for Cantor alloy.
MATERIALS TRANSACTIONS
(2021)
Article
Metallurgy & Metallurgical Engineering
Taichi Abe, Masato Shimono, Takeshi Nakamura
TETSU TO HAGANE-JOURNAL OF THE IRON AND STEEL INSTITUTE OF JAPAN
(2019)
Article
Multidisciplinary Sciences
Taichi Abe, Masato Shimono, Kiyoshi Hashimoto, Cenk Kocer
