Article
Chemistry, Physical
Zishuang Cheng, Xiaoming Zhang, Hui Zhang, Jianbo Gao, Heyan Liu, Xiao Yu, Xuefang Dai, Guodong Liu, Guifeng Chen
Summary: Based on first-principles calculations, the NP monolayer demonstrates high storage capacity, fast diffusion rate, and good stability, making it a potential candidate as an electrode material for Li-/Na-ion batteries.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
Shihao Ma, Hui Zhang, Zishuang Cheng, Xinjian Xie, Xiaoming Zhang, Guodong Liu, Guifeng Chen
Summary: In this study, the feasibility of novel 2D TiB4 as an ideal anode material for Li/Na ion batteries was investigated using first principles calculations. The results showed that Li/Na ions can be chemically and stably adsorbed on the surface of 2D TiB4. Furthermore, 2D TiB4 exhibited high Li and Na capacities with low diffusion barriers, indicating its great potential as an excellent anode material for ultra-high energy storage devices.
APPLIED SURFACE SCIENCE
(2023)
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
Sandeep Kanade, Manu Gautam, Anuradha Ambalkar, Yogesh Sethi, Musthafa Ottakam Thotiyl, Bharat B. Kale, Anil B. Gambhire
Summary: A facile synthesis of multilayered VC@rGO nanocomposite material has been demonstrated, which shows superior specific capacity, long-term cyclic stability, and rate performance when used as an anode in both lithium-ion and sodium-ion batteries.
ACS APPLIED ENERGY MATERIALS
(2022)
Review
Green & Sustainable Science & Technology
Q. Li, M. Yuan, Y. Wang, M. Yao, Z. Zhong, F. Su
Summary: Alkali ion batteries have gained significant attention due to their high power and energy density. However, there is a need for novel electrode materials with higher capacity and longer cycle life. Carbon-supported single-atom metal (CSAM) materials show promise in increasing the anode capacity and extending its lifespan, but more research is required. This mini-review summarizes the application and work mechanisms of CSAM materials in alkali ion batteries, discusses their disadvantages, and proposes solution strategies.
MATERIALS TODAY SUSTAINABILITY
(2023)
Article
Chemistry, Multidisciplinary
Jiafei Pang, Wenyuan Jin, Xiaoyu Kuang, Cheng Lu
Summary: When two-dimensional materials are stacked into van der Waals structures, interlayer electronic coupling can induce excellent properties in energy storage materials. In this study, the interlayer coupling of the FeN/Fe(2)B(2) heterojunction as an anode material was investigated, and it was found to exhibit good performances with high capacities for Al and Li. The stable FeN/Fe(2)B(2) heterojunction showed low diffusion barriers, high Al ion capacity, and relatively low voltages, making it a promising electrode material.
Article
Chemistry, Physical
Atish Ghosh, Sampad Mandal, Pranab Sarkar
Summary: In this study, we investigated the suitability of homogeneous holey carbon nitride monolayers as electrode materials for Li-ion batteries using computational chemistry. The results showed that these monolayers exhibit high adsorption energy for Li, Dirac semimetallic character, high specific capacity, and low diffusion barrier, making them a promising choice for low-cost and high performance LIBs.
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
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
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
Yinan Zhang, Yafei Zhao, Guansuo Bai, Hangwei Wang, Rencheng Jin, Yong Huang, He Lin, Yingdan Hu
Summary: This study proposes a metallic porous 3D-SiC anode structure using 2D siligraphene as a unit, and it shows good thermal, mechanical, and dynamical stability. The 3D-SiC possesses moderate mechanical stiffness and low mass density, making it a promising candidate for metal ion batteries (MIBs). It exhibits low volume changes, diffusion barriers, and average OCVs, as well as high storage capacities and electrical conductivity.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Chemistry, Physical
Siraj Ud Daula Shamim, Afiya Akter Piya, Mohammad Sadiqur Rahman, Syed Mahedi Hasan, Md Kamal Hossain, Farid Ahmed
Summary: The anodic properties of BN-G, BN-GO, and BN-rGO were evaluated for Li/Na ion batteries using density functional theory (DFT) calculations. Among the three nanosheets, BN-rGO showed strong interaction behavior with Li/Na, high reactivity at the defected site, and relatively low diffusion barriers. It also exhibited a high specific capacity, making it a promising candidate for Li/Na ion batteries.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Ya Wu, Shuailong Wang, Yiqun Xie, Xiang Ye, Shoutian Sun
Summary: Through density functional theory, 2D TiOF as an anode for ion batteries was investigated. TiOF was found to be thermodynamically stable at 1000K with high specific capacities and theoretical energy densities for Li and Na, low diffusion barriers for adsorbed Li/Na ions, and preserved metallic features and structural integrity during ion intercalation process, making it an appealing choice for rechargeable Li/Na-ion batteries.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Yi Song, Yaxin Di, Shiyao Wang, Mohammad Khazaei, Junjie Wang
Summary: A novel B-9 monolayer with good stability and high energy storage capacity has been investigated as a potential anode material for lithium-ion batteries, sodium-ion batteries, and potassium-ion batteries. The B-9 monolayer demonstrates excellent electrochemical performances and has the potential to outperform other known electrode materials.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Johannes Philipp Mensing, Tanom Lomas, Adisorn Tuantranont
Summary: Rechargeable magnesium batteries (RMBs) have the potential to contribute to the shift towards renewable and green energy sources, but still face challenges that need to be overcome. Graphene is being extensively studied for its ability to improve the performance of RMBs by enhancing electrochemical characteristics and mechanical stability of battery components.
Article
Materials Science, Multidisciplinary
Weizhen Meng, Xiaoming Zhang, Tingli He, Lei Jin, Xuefang Dai, Guodong Liu
COMPUTATIONAL MATERIALS SCIENCE
(2020)
Article
Physics, Multidisciplinary
Junli Zhang, Lei Jin, Jie Chen, Chenhui Zhang, Peng Li, Ye Yuan, Yan Wen, Qiang Zhang, Xiaoming Zhang, Enke Liu, Wenhong Wang, Xixiang Zhang
Summary: The excitation of Weyl semimetals follows the relativistic Weyl equation and has aroused significant research interest due to its unique electronic state. This study introduces a novel approach for modulating the electron state of half-Heusler compound GdPtBi through hydrostatic pressure, revealing a phase transition from a Weyl semimetal to a semiconductor state at certain pressure. The findings also suggest that changes in electronic structures of atoms in the primary unit cell result in the phase transition in GdPtBi, presenting an effective strategy for tuning the electronic state by adjusting the lattice constant.
NEW JOURNAL OF PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Lirong Wang, Lei Jin, Guodong Liu, Ying Liu, Xuefang Dai, Xiaoming Zhang
Summary: Researchers have recently proposed a series of pentagonal materials with X2Y configuration showing nontrivial line-node band structures, characterized by open Dirac/Weyl line-nodes traversing the entire 2D Brillouin zone with long edge states. This unique structure presents favorable candidates for studying nontrivial topology and potential applications in nanoscale electronics and spintronics systems.
APPLIED MATERIALS TODAY
(2021)
Article
Materials Science, Multidisciplinary
Guifeng Chen, Bolin Long, Lei Jin, Hui Zhang, Zishuang Cheng, Xiaoming Zhang, Guodong Liu
Summary: Topological semimetals have special topological energy band structures and excellent topological properties, making them widely applicable in electronic devices. Study of Weyl semimetal Co3Sn2S2 synthesized by a hydrothermal method revealed its ferromagnetic transition.
Article
Materials Science, Multidisciplinary
Lei Jin, Ying Liu, Wei-Wang Yu, Xiaoming Zhang, Guodong Liu, Xuefang Dai
Summary: The fundamental symmetry in condensed matter physics, crystallographic symmetry, has been studied extensively. The search for unconventional excitations beyond Dirac and Weyl fermions has focused on nonmagnetic materials, while magnetic sextuple excitations have received less attention. In this study, a systematic search is performed for ferromagnetic sextuple points without spin-orbit coupling. The stability of the sextuple excitation is found to depend on the little point group Td. Through first-principles calculations, 67 ferromagnetic material candidates are identified, providing a platform for investigating spin-polarized sextuple excitations and spintronics.
Article
Materials Science, Multidisciplinary
Chunyao Song, Lei Jin, Pengbo Song, Hongtao Rong, Wenpei Zhu, Bo Liang, Shengtao Cui, Zhe Sun, Lin Zhao, Youguo Shi, Xiaoming Zhang, Guodong Liu, X. J. Zhou
Summary: Researchers have discovered multiple genuine and clean high-dimensional topological states in NaAlSi, including two sets of nodal surfaces and two homocentric nodal ring states. These findings provide a foundation for exploring NaAlSi as an ideal topological material for novel quantum states and exotic properties.
Article
Materials Science, Multidisciplinary
Lei Jin, Xiaoming Zhang, Ying Liu, Xuefang Dai, Guodong Liu
Summary: This work reports the perfect combination of half-metallic properties and electronic topological properties in the PrOBr monolayer, which exhibits conducting electrons in the spin-up channel and a large insulating gap in the spin-down channel. It also shows multiple band crossings in the conducting spin channel, enabling the coexistence of different types of nodal lines. This finding has not been observed in 2D materials or half metals before.
Article
Materials Science, Multidisciplinary
Lei Jin, Ying Liu, Xiaoming Zhang, Xuefang Dai, Guodong Liu
Summary: Unconventional fermions, such as threefold, fourfold, and sixfold points, are revealed in existing compound R2C3 through first-principle calculations and symmetry analysis. The study shows that these unconventional fermions can be transformed into other types of fermions by applying uniaxial strain. Furthermore, the inclusion of spin-orbital coupling leads to the transformation of certain points into eightfold and fourfold degenerate points. This work provides a family of realistic materials for studying unconventional fermions.
Article
Materials Science, Multidisciplinary
Tie Yang, Lei Jin, Ying Liu, Xiaoming Zhang, Xiaotian Wang
Summary: This study reveals a family of hexagonal compounds with ferromagnetic ground states, which exhibit excellent topological electronic structures including Weyl nodal loops and surfaces. These materials possess spin-polarized features and serve as good material platforms for studying the fundamental physics of spin-polarized nodal loop and surface fermions.
Article
Chemistry, Multidisciplinary
Lei Jin, Lirong Wang, Xiaoming Zhang, Ying Liu, Xuefang Dai, Hongli Gao, Guodong Liu
Summary: The research demonstrates that 2D YN2 possesses both out-of-plane and tunable in-plane QAHE. The YN2 monolayer can exhibit either Weyl states or in-plane QAHE states under in-plane magnetization, and the Chern number and edge channel propagation direction can be adjusted by changing the direction of the in-plane magnetic field.
Article
Materials Science, Multidisciplinary
Lei Jin, Xiaoming Zhang, Ying Liu, Xuefang Dai, Liying Wang, Guodong Liu
Article
Chemistry, Physical
Tingli He, Xiaoming Zhang, Lei Jin, Weizhen Meng, Xunan Shen, Liying Wang, Xuefang Dai, Guodong Liu
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Materials Science, Multidisciplinary
Lei Jin, Xiaoming Zhang, Ying Liu, Xuefang Dai, Xunan Shen, Liying Wang, Guodong Liu
Article
Chemistry, Physical
Lei Jin, Xiaoming Zhang, Tingli He, Weizhen Meng, Xuefang Dai, Guodong Liu
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Chemistry, Physical
Qi-Wen Chen, Ze-Qing Guo, Jian-Ping Zhou
Summary: Multifunctional continuous solid solutions NFMTO-x were successfully synthesized via a one-step hydrothermal method by controlling the ratio of Mg and Fe. The NFMTO-x materials exhibited enhanced visible light response, effective adsorption and photocatalytic degradation of organic pollutants, CO2 methanation capability, and easy recyclability due to their magnetic properties. This research provides a significant multifunctional material for water purification.
APPLIED SURFACE SCIENCE
(2024)
Review
Chemistry, Physical
George E. Stan, Maziar Montazerian, Adam Shearer, Bryan W. Stuart, Francesco Baino, John C. Mauro, Jose M. F. Ferreira
Summary: Bioactive glasses have the ability to form strong bonds with tissues and release therapeutic ions. However, their biomechanical compatibility limits their use in load-bearing applications. The use of magnetron sputtering technology to fabricate BG coatings shows promise in improving their efficacy and potential for application.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Zhaoxuan Wang, Zhicheng Yan, Zhigang Qi, Yu Feng, Qi Chen, Ziqi Song, Meng Huang, Peng Jia, Ki Buem Kim, Weimin Wang
Summary: The corrosion behavior of Fe-60 and Fe-83 ribbons in 0.6 M NaCl was studied. Fe-60 exhibited a local corrosion mode and formed a stable passivation film with higher corrosion resistance, while Fe-83 showed a combination of local and global corrosion modes and had lower corrosion resistance. Controlling the precipitation of nanocrystalline phases and increasing the POx content in the passivation film significantly improved the corrosion resistance of Fe-based glassy alloys.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Hao-Kai Peng, Sheng-Yen Zheng, Wei-Ning Kao, Ting-Chieh Lai, Kai-Sheun Lee, Yung- Hsien Wu
Summary: This study investigates the effects of high energy/fluence proton radiation on the performance of HfZrOx-based FeFETs memory with different Zr content. The results show that the characteristics of FeFETs are influenced by proton radiation, and the extent of the influence depends on the Zr content. FeFETs with 50% Zr content exhibit minimal changes in memory window and demonstrate good endurance and retention performance.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Zongyi Yue, Guangyi Wang, Zengguang Huang, Sihua Zhong
Summary: In this study, AZO and ITO films were successfully tuned as excellent passivation layers for c-Si surfaces, achieving effective minority carrier lifetime and outstanding optical properties through the optimization of annealing temperature and interfacial silicon oxide.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Martin Hruska, Jan Kejzlar, Jaroslav Otta, Premysl Fitl, Michal Novotny, Jakub Cizek, Oksana Melikhova, Matej Micusik, Peter Machata, Martin Vrnata
Summary: This paper presents a detailed study on the hydrogen sensing capabilities of highly nanoporous black gold films. The films exhibit fast response and recovery times at low temperatures. Different levels of nanoporosity were prepared and tested to investigate the sensing properties, and it was found that nanoporous black gold is suitable for hydrogen sensing. The sensitivity of the film depends on its nanoporosity.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yupu Wang, Gaofeng Teng, Chun To Yiu, Junyi Zhu
Summary: In the study of BM-SCO and HSCO thin films, it was found that H vacancies tend to prefer sites near the external surface or oxygen vacancy channels (OVCs), while H interstitials prefer sites of oxygen on a layer that contains six-fold coordinated Co. These findings not only enrich the understanding of complex surface phenomena of defect formation but also provide an explanation for the reversibility during phase transformation.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Jiafeng Lu, Linping Teng, Qinxiao Zhai, Chunhua Wang, Matthieu Lancry, Ye Dai, Xianglong Zeng
Summary: In this study, we achieved full control of fiber nanograting orientation by manipulating laser polarization, and tailored space variant fiber nanogratings, which expanded the diversity in fiber nanograting engineering.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yibo Liu, Yujie Tao, Yue Liu, Qi Sun, Qinrong Lin, Kexin Kang, Qinghua Zhang, Qingjie Sun
Summary: This study investigates the wettability of the Ti-Cu-Fe multi-metal system, specifically the wetting behaviors of CuSi3 droplets on TC4 and 304SS plates. The results show that the CO2 + Ar gas atmosphere significantly affects interfacial mass transfer, thus influencing the wettability of the systems.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Jimei Liu, Fei Wang, Rong Guo, Yuqi Liu, Mengyu Zhang, Jaka Sunarso, Dong Liu
Summary: This study developed Co/MXene composites with anti-corrosion properties by varying the cobalt content. These composites exhibited remarkable electromagnetic absorption performance and high resistance to corrosion under various corrosive conditions. The study also revealed the mechanism of electron transfer from cobalt to MXene and the electromagnetic dissipation behavior originated from polarization loss alone.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Moujie Huang, Yongsong Ma, Jingbo Yang, Lingyun Xu, Hangqi Yang, Miao Wang, Xin Ma, Xin Xia, Junhao Yang, Deli Wang, Chuang Peng
Summary: Strong metal-support interactions (SMSIs) are important for enhancing catalytic activities and stability in thermal catalysis. This study demonstrates a method to create SMSIs in electrocatalysis using carbon nanotubes and Ru nanoparticles, resulting in excellent catalytic activity and stability.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Ravi Trivedi, Brinti Mondal, Nandini Garg, Brahmananda Chakraborty
Summary: This study explores the potential of biphenylene as a nanocarrier for the delivery of the anticancer drug cisplatin. It is found that biphenylene offers physical stability, rapid release rate, solubility, and bio-compatibilities compared to other nanocarriers. The adsorption of cisplatin on the surface of biphenylene involves charge transfer from cisplatin to biphenylene. The drug is shown to be released at body temperature in an acidic environment. Biphenylene also exhibits excellent cytotoxicity activity and cellular uptake of the drug. Overall, biphenylene shows promise as a potential nanocarrier for cisplatin delivery.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Hyun Jeong, Hyeong Chan Suh, Ga Hyun Cho, Rafael Salas-Montiel, Hayoung Ko, Ki Kang Kim, Mun Seok Jeong
Summary: In this study, a potential platform to enhance Raman scattering and increase the number of observable Raman modes in monolayer transition metal dichalcogenides (TMDs) was proposed. The platform consisted of large-scale arrays of gold micropillars (MPs), which were able to enhance the Raman intensity of TMDs and make difficult-to-detect Raman modes observable. The platform showed great industrial advantages and wide applicability due to its low cost, simple process, large controllable area, and short process time.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yasir Abbas, Shafqat Ali, Sajjad Ali, Waqar Azeem, Zareen Zuhra, Haoliang Wang, Mohamed Bououdina, Zhenzhong Sun
Summary: In this study, FeOx@SPNO-C core-shell nanospheres as a catalyst for degradation of sulfamethoxazole (SMX) were successfully synthesized. The synergistic interaction between FeOx and SPNO-C, high carbon charge density, and the presence of C = O groups and N/Fe-Nx sites were found to be key factors for the enhanced degradation of SMX.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Qiaoting Yang, Yuxiao Gong, Yan Qian, Zhou-Qing Xiao, Serge Cosnier, Xue-Ji Zhang, Robert S. Marks, Dan Shan
Summary: This study proposes a hierarchical confinement strategy to design Prussian blue nanoparticles (PB NPs) with satisfactory electrocatalytic ability and stability. The catalytic synthesis of PB NPs is achieved through a hydrothermal process, and the as-prepared PB@NH2MIL exhibits efficient electronic transmission and enhanced electrocatalytic properties.
APPLIED SURFACE SCIENCE
(2024)