Article
Materials Science, Multidisciplinary
Yuge Cao, Meijing Xiao, Wujie Dong, Tianxun Cai, Hui Bi, Fuqiang Huang
Summary: This study develops a novel ion-exchange method to synthesize Na0.44MnO2 cathode material with excellent performance. By adjusting the synthesis conditions, the amount of residual K+ and the size of Na0.44MnO2 are well controlled, which is crucial for improving the performance of sodium-ion batteries.
SCIENCE CHINA-MATERIALS
(2023)
Article
Engineering, Environmental
Yingying Zhao, Di Yang, Tianqi He, Jinhang Li, Luyao Wei, Dashuai Wang, Yizhan Wang, Xudong Wang, Gang Chen, Yingjin Wei
Summary: This study successfully achieved super-fast Na+ diffusion in VS2 anode by creating ordered or disordered S vacancies, significantly improving rate capability and cycle life. The vacancy engineering strategy proposed in this work provides a new approach to enhance the rate capability of transition metal dichalcogenides.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Physics, Multidisciplinary
Fangzhou Zhao, Mark E. Turiansky, Audrius Alkauskas, Chris G. Van de Walle
Summary: Trap-assisted Auger-Meitner recombination is highlighted as a dominant nonradiative process in wide-band-gap materials, and a first-principles methodology is presented to determine the rates of this process in semiconductors or insulators due to defects or impurities.
PHYSICAL REVIEW LETTERS
(2023)
Article
Nanoscience & Nanotechnology
Huan Liu, Na Li, Shiwei Zhang, Jianchuan Wang, Yong Du, Weibin Zhang
Summary: Heteroatomic Ti doping is proposed as a strategy to modify the electronic structure of Fe2O3 and improve its Li-ion affinity. The Ti concentration gradient-doped Fe2O3 exhibits excellent long-cycle stability as a Li-ion battery anode, achieving a reversible capacity of 1001.9 mAh g-1 at 1 A g-1 for 1200 cycles and maintaining a reversible specific capacity compared to commercial graphite electrodes at 2 A g-1 for 2000 cycles.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Gencai Guo, Siwei Luo, Chen Lai, Bangming Ming, Manqi You, Xiaolong Liu, Zongyu Huang, Xiaolin Wei, Ruzhi Wang, Jianxin Zhong
Summary: In this study, atom-doped regulation was proposed to repair vacancy defects in C3N and improve battery performance. Calculations showed that C and B atoms were more likely to appear. Doped C3N exhibited greatly improved Li ionic conductivity and binding energy compared to pristine C3N.
APPLIED SURFACE SCIENCE
(2022)
Article
Energy & Fuels
Jingna Li, Yuchen Sun, Xiao Zhang, Yanfang Sun, Jinxue Guo
Summary: Engineering heterojunction with the interfacial synergism, such as Sb2S3-CoS2@NC nanoboxes, is an effective strategy to improve the performance of sodium-ion batteries. The exquisite hollow structure and carbon coating of the heterojunction can buffer volumetric variation and accelerate charge transfer, while the interfacial synergism enhances sodium ion uptake and transport.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Nanoscience & Nanotechnology
Venkata Sai Avvaru, Mewin Vincent, Ivan Jimenez Fernandez, Steven J. Hinder, Vinodkumar Etacheri
Summary: This study demonstrates the high-performance rechargeable batteries using defective Co3O4 nanosheet anodes, which exhibit outstanding pseudocapacitance and reversible capacities.
Article
Chemistry, Physical
Tomoaki Kaneko, Yui Fujihara, Hiroaki Kobayashi, Keitaro Sodeyama
Summary: In this study, the energetics and reconstruction of MgM2O4 (M = Mn, Fe, Co) spinel surfaces were investigated using first-principles calculations. It was found that the stability of MgM2O4 spinels depended on the occupation of rock-salt-like sites by Mg atoms in the topmost layer. The rock salt phase preferentially grew on the spinel surface rather than in the bulk with an increase in the number of Mg atoms, consistent with recent aberration-corrected scanning transmission electron microscopy observations of core-shell growth of the rock-salt phase.
APPLIED SURFACE SCIENCE
(2023)
Article
Biochemistry & Molecular Biology
Bingxin Mao, Hui Li, Qian Duan, Jianhua Hou
Summary: First-principles calculations and molecular dynamics simulations were used to investigate the electrochemical performance of monolayer gamma-PC in Na- and K-ion batteries. The results show that the monolayer gamma-PC has thermal and dynamic stability, enhanced electrical conductivity, high adsorption energies, high capacity, and low diffusion barriers. These findings suggest that the monolayer gamma-PC is a promising anode material for both Na-ion and K-ion batteries.
JOURNAL OF MOLECULAR MODELING
(2022)
Article
Chemistry, Applied
Kaining Li, Xiaofeng Fan, David J. Singh, W. T. Zheng
Summary: This study proposes a simple and efficient method for screening potential K cathode materials with first principles calculations, predicting a series of potential cathodes with favorable electrochemical performance for high energy density and rate performance in K-ion batteries.
JOURNAL OF ENERGY CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Minze Han, Yaokai Xi, Sunrui Luan, Junshuang Zhou, Faming Gao
Summary: The abundant reserve and low cost of sodium have led to significant developments in sodium-ion batteries (SIBs). This study presents a novel sea urchin-shaped Se-doped Bi2S3 electrode for SIBs, which shows excellent rate capability and high reversible capacity. The unique sea urchin-like structure, composed of bismuth sulfide nanoparticles, contributes to the pseudocapacitance behavior of the electrode, which can be extended to more advanced SIBs anodes.
MATERIALS CHEMISTRY AND PHYSICS
(2022)
Article
Chemistry, Physical
Junbin Li, Xiaoqing Chang, Tingyi Huang, Binhao Wang, Hongfei Zheng, Qing Luo, Dong-Liang Peng, Qiulong Wei
Summary: The electrochemical properties and size-effect of Li4Ti5O12 (LTO) anode for Li+ and Na+ storage were investigated. Li+ storage in LTO is diffusion-controlled in bulk and shows increased surface-controlled contributions when the size is reduced to 18 nm. In comparison, for Na+ storage, the domination step is surface-controlled in all sizes of LTO, with over 55% contribution even at low sweep rate of 0.1 mV s(-1).
ENERGY STORAGE MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
K. Belasfar, A. El Kenz, A. Benyoussef
Summary: Through first-principles calculations, it is predicted that BC7 monolayer could be a promising anode material for lithium and sodium ion batteries, with high theoretical capacity and efficient ion adsorption characteristics. The low activation energy barrier and fast diffusion of ions on the BC7 monolayer surface suggest its potential for high-performance charge and discharge processes. Furthermore, the low average open-circuit voltage indicates the potential of BC7 monolayer as a suitable candidate for advanced battery technologies.
MATERIALS CHEMISTRY AND PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Miao Jia, Tong Qi, Qiong Yuan, Peizhu Zhao, Mengqiu Jia
Summary: In this study, MoS2/PPy composite material was synthesized using a polymerization method and a hydrothermal method. The composite material showed outstanding performance as a sodium-ion battery anode, benefiting from its high specific surface area and synergistic effect between the components.
Article
Multidisciplinary Sciences
Jiachen Ma, Chen Yang, Qiuhui Li, Shiqi Liu, Linqiang Xu, Shibo Fang, Xiaotian Sun, Ruge Quhe, Feng Pan, Jing Lu
Summary: A thermodynamically and kinetically stable 3D hierarchical carbonaceous nanostructure is constructed and its potential as an anode for sodium-ion batteries is examined. The structure exhibits excellent conductivity and ion transport properties, making it a promising candidate for high-performance SIBs.
ADVANCED THEORY AND SIMULATIONS
(2022)
Article
Chemistry, Applied
Fanhui Meng, Xiaojing Li, Peng Zhang, Langlang Yang, Guinan Yang, Pengchuan Ma, Zhong Li
Summary: In this study, ternary oxides ZrCeZnOx with different CeO2 contents were prepared and added into Zr-Zn oxide to form a solid solution. By optimizing the reaction conditions, the ZrCeZnOx/SAPO-34 catalyst showed high CO conversion and light olefins selectivity. The addition of CeO2 enhanced oxygen vacancies concentration and adsorption ability of CO and H2, contributing to the synthesis of light olefins.
Article
Engineering, Chemical
Xuhui Wang, Jinxian Zhao, Ying Li, Shouying Huang, Jiangwei An, Ruina Shi, Yongli Pei, Zhong Li, Jun Ren
Summary: ZrO2 is a potential catalyst for the direct synthesis of DMC, with m-ZrO2 showing higher DMC yield than t-ZrO2. The amount and strength of surface Brønsted acid sites play a crucial role in the catalytic performance of ZrO2, and m-ZrO2's smaller band gap enhances its catalytic activity for DMC synthesis.
CHEMICAL ENGINEERING SCIENCE
(2021)
Article
Engineering, Chemical
Ruina Shi, Jinxian Zhao, Yanhong Quan, Yongli Pei, Xuhui Wang, Zhong Li, Jun Ren
Summary: The strategy of wrapping metal nanoparticles in graphene shells to design highly active and stable catalysts shows promising potential. The nitrogen-doped graphene-coated copper nanoparticles composite exhibited superior catalytic performance and stability in reactions such as the oxidative carbonylation of methanol to dimethyl carbonate.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Chemistry, Multidisciplinary
Jiajun Wang, Li Yang, Tingjun Fu, Fanhui Meng, Zhong Li
Summary: Copper nanoparticles are successfully confined in ordered mesopores of ordered mesoporous carbon (OMC) with controlled sizes, leading to enhanced catalytic activity. Decreasing the mesopore size strengthens the interaction between copper and carbon surface, promoting electron shifts from carbon surface to copper nanoparticles, and thus facilitating the reduction of CuO to active Cu2O species. This concept can be applicable to the preparation of other metal-supported catalysts.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Xinmei Gao, Hanqing Zhao, Shujun Zhang, Hanting Shen, Zhong Li
Summary: The study demonstrates that adjusting the percentage of active O/N species on the surface of N-doped carbon nanospheres can enhance sodium storage properties by increasing the content of C = O groups and pyridinic-N.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Engineering, Chemical
Fanhui Meng, Xiaotong Liang, Lina Wang, Guinan Yang, Xiaoyang Huang, Zhong Li
Summary: Zeolites in bifunctional catalysts composed of a metal oxide and a zeolite (OX-ZEO) play a crucial role in conversion of generated intermediates during the reaction. The effects of templates and SiO2/Al2O3 molar ratios on the zeolite structure and surface properties were investigated, and the catalytic performance of SAPO-34 combined with GaZrOx oxide for the conversion of syngas into light olefins was explored. SAPO-34 with small particle sizes benefits to enhance the CO conversion and C-2-4(=) selectivity. SAR0.4-TD with a SiO2/Al2O3 ratio of 0.4 exhibits the highest space-time yield of light olefins.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Chemistry, Inorganic & Nuclear
Qian Ma, Tingjun Fu, Kun Ren, Han Li, Lihan Jia, Zhong Li
Summary: The controllable growth orientation of ZSM-5 can be achieved by introducing seeds and controlling medium pH, affecting product selectivity in methanol conversion reaction. The dissolution rate of seeds and aluminosilicate plays a critical role in determining the growth orientation of ZSM-5, with larger seed size promoting growth along the c axis.
INORGANIC CHEMISTRY
(2022)
Article
Nanoscience & Nanotechnology
Dan Zhao, Yaoyao Wang, Gaobo Chang, Chengmeng Chen, Qingqiang Kong, Zhong Li, Hanqing Zhao
Summary: In this study, carbon dot/reduced graphene oxide (CDs/rGO) composites were fabricated using oxygen-functionalized CDs and conductive graphene oxide (GO) by a hydrothermal method and calcination. The CDs/rGO composites showed excellent electrochemical properties as sodium ion battery anodes due to the synergistic effects of the CDs and rGO. The oxygen-functionalized CDs were found to be effective in regulating the surface chemistry of carbon materials, making this research significant.
ACS APPLIED NANO MATERIALS
(2022)
Article
Engineering, Chemical
Tingjun Fu, Chuntao Cao, Liangliang Zhang, Li Zhang, Qian Ma, Zhenjun Xu, Ran Wang, Han Li, Zhong Li
Summary: The development of stable and selective ZSM-5 catalysts for methanol aromatization is challenging. However, by preliminary steam treatment before Zn introduction, highly stable aromatization on ZSM-5 can be demonstrated. The steam treatment decreases acid density and increases Al-Lewis acid sites (Al-LAS) at the expense of Bronsted acid sites (BAS), resulting in increased aromatization activity and maintained lifetime.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Yaoyao Wang, Hanting Shen, Dan Zhao, Zhong Li, Hanqing Zhao
Summary: Transition metal sulfide/carbon composites are widely studied anode materials for sodium storage with excellent capacity. This study investigates the structural variation of the carbon phase in classical cobalt sulfide/carbon composites, focusing on defect densities and surface oxygen functional groups in Co4S3/carbon composites. The increased active sites and interlayer spacing in the carbon phase improve cycling and rate performances. Understanding the chemical and microstructural surface changes in carbon substrates provides insights into the high performance of transition metal sulfide/carbon composites.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Liangliang Zhang, Tingjun Fu, Yating Han, Ran Wang, Zhong Li
Summary: This study investigated the inter-catalytic behavior of mixed ZSM-5 with different acid configurations. Multiple reactions of hydrocarbon intermediates were observed between ZSM-5 grains. By adjusting the SiO2/Al2O3 ratio of ZSM-5, heavy aromatic de-alkylation could be significantly promoted while external coke deposition was inhibited. This work helps to clarify the catalytic behavior of acidic molecular sieve catalysts and provides an effective path to improve catalytic performance through configuration of different molecular sieve catalysts.
Article
Chemistry, Multidisciplinary
Le Yin, Tingjun Fu, Bowen Li, Ruiwen Cao, Caiyan Li, Zhong Li
Summary: This study investigates the synergistic effect of oxide-zeolite composite (OXZEO) catalysts in benzene alkylation with CO2/H-2. By analyzing and optimizing key parameters, high conversion of benzene and high selectivity of toluene and xylene are achieved. The mechanism of CO2 hydrogenation-alkylation is confirmed, and it is found that nano-sized HZSM-5 has better catalyst stability compared to micro-sized HZSM-5 due to a less severe metal migration issue.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Hanqing Zhao, Gaobo Chang, Yaoyao Wang, Dan Zhao, Zhong Li
Summary: Rapid carbonization achieves a balance of sodium storage sites and electronic conductivity for MOF-derived carbon within 10 minutes, resulting in excellent sodium storage properties. This work presents a novel and eco-friendly approach to treat MOF-derived materials in the field of electrochemistry.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Gaobo Chang, Yu Zhao, Xinmei Gao, Zhong Li, Hanqing Zhao
Summary: Different oxygen functionalization processes occur for N-doped soft carbon (N-SC) and hard carbon (N-HC), and there may be a competitive relationship between the formation of pyridinic-N and C=O groups. N-SC exhibits abundant C=O groups and defects, resulting in excellent Na+ storage performance and cycling stability, especially at high current densities.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Chenmiao Sun, Fanhui Meng, Jiajun Wang, Zhong Li
Summary: The study found that as the Co content increased, the BET surface areas of the catalyst gradually decreased while the average pore size increased; meanwhile, the graphitization degree increased and N content decreased. The Cu/NC-60-H catalyst with the highest (N1 + N3)/N2 ratio showed the highest content of (Cu+ + Cu-0), exhibiting the best catalytic activity.
NEW JOURNAL OF CHEMISTRY
(2022)
