Article
Chemistry, Physical
Sara Fiori, Deepak Dagur, Michele Capra, Andrea Picone, Alberto Brambilla, Piero Torelli, Giancarlo Panaccione, Giovanni Vinai
Summary: In the past decade, reducing the dimensionality of materials to few atomic layers has allowed the exploration of new physical properties and functionalities absent in two dimensions. Interfaces and interlayers have been found to play a crucial role in this regime. This study investigates the influence of interfaces and interlayers on the electronic properties and structural quality of ultrathin Cr2O3 films on Pt(1 1 1) in the presence of a multidomain graphene intralayer. The results show that the ultrathin Cr2O3 films are slightly affected by the interfacial epitaxial quality from an electronic point of view, making them potential candidates for graphene-integrated heterostructures.
APPLIED SURFACE SCIENCE
(2023)
Review
Energy & Fuels
Y. Zhang, J. A. Alarco, M. Khosravi, I. D. R. Mackinnon
Summary: This study reviews recent research on the surface chemistries and electronic structures of olivine phosphate cathode materials, finding evidence of Li-depletion and mixed oxidation for transition metal ions. The presence of dopants on the surface of cathode materials is shown to significantly impact their properties, as indicated by more pronounced surface Li-depletion and mixed oxidation in doped LiFePO4 compared to undoped material.
JOURNAL OF PHYSICS-ENERGY
(2021)
Article
Chemistry, Multidisciplinary
Benjamin M. Oxley, Jeong Bin Cho, Abishek K. Iyer, Michael J. Waters, Jingyang He, Nathan C. Smith, Chris Wolverton, Venkatraman Gopalan, James M. Rondinelli, Joon I. Jang, Mercouri G. Kanatzidis
Summary: This research focuses on the structure, properties, and the relationship between selenium content and isostructural heteroanionic compounds. The results demonstrate that these materials exhibit excellent performance in second-harmonic response and outperform the industry standard AgGaSe2.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Review
Chemistry, Multidisciplinary
Deying Luo, Xiaoyue Li, Antoine Dumont, Hongyu Yu, Zheng-Hong Lu
Summary: The focus of the research is on discussing surface and interface engineering to reduce deep-level defects, and by selecting appropriate materials and processing methods to enhance the device performance of both solar cells and light-emitting diodes.
ADVANCED MATERIALS
(2021)
Article
Physics, Multidisciplinary
R. Garreis, A. Knothe, C. Tong, M. Eich, C. Gold, K. Watanabe, T. Taniguchi, V Fal'ko, T. Ihn, K. Ensslin, A. Kurzmann
Summary: Transport measurements through a few-electron circular quantum dot in bilayer graphene show bunching of conductance resonances in groups of four, eight, and twelve, which are related to the spin and valley degeneracies. As the electron numbers increase, the single-particle ground state evolves into a threefold degenerate minivalley ground state, confirmed by measurements in a magnetic field. The importance of Hund's second rule for spin filling of quantum dot levels is emphasized, highlighting the effects of exchange interactions.
PHYSICAL REVIEW LETTERS
(2021)
Article
Materials Science, Multidisciplinary
S. Yoshida, T. Koyama, H. Yamada, Y. Nakai, K. Ueda, T. Mito, K. Kitagawa, Y. Haga
Summary: High-pressure nuclear magnetic resonance measurements on a S-33-enriched sample of the prototypical intermediate valence compound SmS revealed evidence of a magnetic transition. The absence of a Curie term suggests that the mechanism of the magnetic ordering is not described within a simple localized model, and the line shape in the magnetically ordered state does not fit a spin density wave order. This indicates that the magnetic order in SmS may require an understanding beyond the conventional framework for heavy fermions.
Article
Chemistry, Multidisciplinary
Vladimir V. Shnitov, Maxim K. Rabchinskii, Maria Brzhezinskaya, Dina Yu Stolyarova, Sergey Pavlov, Marina Baidakova, Aleksandr Shvidchenko, Vitaliy A. Kislenko, Sergey A. Kislenko, Pavel N. Brunkov
Summary: This study examines the engineering of 2D materials' electronic structure, focusing on how the introduction of functional groups affects the valence band. Core-level spectroscopy methods and density functional theory modeling are used to reveal the modification of graphene's valence band upon derivatization, with a proposed empirical approach to analyze and predict these effects. The results provide insight into band structure engineering of graphene derivatives and the mechanisms underlying the alteration of 2D materials' valence band structure upon derivatization.
Article
Chemistry, Multidisciplinary
Jindong Chen, Qingchen Wu, Haotian Tian, Xiaotian Jiang, Feng Xu, Xin Zhao, Zheshuai Lin, Min Luo, Ning Ye
Summary: This work unravels a vital band gap mechanism of pnictides and proposes a general design paradigm for wide-band gap nonlinear optical pnictides. The synthesis of millimeter-level crystals of MgSiP2 with a wide band gap and strong nonlinear optical performance demonstrates the effectiveness of this method. This research provides essential guidance for the future design and synthesis of pnictide materials.
Article
Chemistry, Applied
Nassira Ferroudj, Patricia Beaunier, Anne Davidson, Sebastien Abramson
Summary: The study explored the relationship between the activity and structure of γ-Fe2O3/SiO2 nanocomposite microspheres as heterogeneous catalysts, revealing that doped Fe3+ and ordered mesoporosity significantly enhance the activity of the materials, demonstrating excellent oxidation and mineralization effects on simulated water pollutants.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Mian Li, Qin Zhou, Huajun Song, Yi Lu, Mengjie Lu, Xiaoying Lu, Ke Duan, Jie Weng
Summary: In this study, a novel electrically-magnetically bifunctional PMMA composite was developed, which exhibited excellent stimulus-responsive, mechanical properties, and cytocompatibility, showing great potential for bone tissue engineering.
Article
Chemistry, Multidisciplinary
Lianhai Zu, Xingyue Qian, Shenlong Zhao, Qinghua Liang, Yu Emily Chen, Min Liu, Bing-Jian Su, Kuang-Hsu Wu, Longbing Qu, Linlin Duan, Hualin Zhan, Jun-Ye Zhang, Can Li, Wei Li, Jenh Yih Juang, Junwu Zhu, Dan Li, Aibing Yu, Dongyuan Zhao
Summary: In this work, ultrathin Ir-IrOx/C nanosheets with ordered interlayer space were synthesized through a nanoconfined self-assembly strategy, exhibiting enhanced catalytic activity for acidic oxygen evolution reactions. The nanosheets showed one of the lowest overpotential during OER in an acid medium, benefiting from their mixed-valence states, rich electrophilic oxygen species, and favorable mesostructured architectures. This study opens a new avenue for designing high-performance 2D ordered mesoporous electrocatalysts for water oxidation and beyond through a nanoconfined self-assembly strategy.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Mattia Trama, Vittorio Cataudella, Carmine Antonio Perroni, Francesco Romeo, Roberta Citro
Summary: The electronic structure of the (111) LaAlO3/SrTiO3 interface was calculated using a tight binding supercell approach. The confinement potential at the interface was evaluated through the iterative solution of a discrete Poisson equation. Local Hubbard electron-electron terms were included at the mean-field level within a fully self-consistent procedure. The calculation accurately described the formation of a two-dimensional electron gas near the interface due to quantum confinement and showed agreement with experimental results.
Article
Chemistry, Multidisciplinary
Maxim K. Rabchinskii, Vladimir V. Shnitov, Maria Brzhezinskaya, Marina V. Baidakova, Dina Yu. Stolyarova, Sergey A. Ryzhkov, Svyatoslav D. Saveliev, Alexander V. Shvidchenko, Denis Yu. Nefedov, Anastasiia O. Antonenko, Sergey V. Pavlov, Vitaliy A. Kislenko, Sergey A. Kislenko, Pavel N. Brunkov
Summary: The derivatization of graphene has attracted significant attention for its potential applications in catalysis, sensing, and energy harvesting by engineering its band structure. The identification of specific functional groups and their effects on graphene's electronic structure remains a complex question. In this study, an advanced fingerprinting technique using core-level methods was proposed to accurately identify and quantify the epoxide and hydroxyl groups on the graphene layers. Experimental and theoretical results revealed the modification of graphene's valence band and the appearance of localized states related to the introduced functionalities. These findings advance the understanding of the contribution of epoxide and hydroxyl groups to the core-level spectra and band structure of graphene derivatives, enabling the engineering of graphene's physical properties through functionalization.
Article
Chemistry, Multidisciplinary
Jingyan Zhang, Junfu Li, Chenglin Zhong, Pinxian Xi, Dongliang Chao, Daqiang Gao
Summary: In this study, a double-cation gradient etching technique was introduced to manipulate the electronic structure of perovskite LaCoO3, resulting in the reconstruction of the surface and the realization of V-LCO/Co3O4. The directional reconstruction of surface electronic structure enhanced the electrocatalytic activity of V-LCO/Co3O4 for the oxygen evolution reaction by adjusting the d-band center to a moderate position with perfect adsorption strength for oxo groups.
Article
Chemistry, Multidisciplinary
Zhi Long, Yajun Wang, Xiaoling Sun, Yitong Li, Zhiwei Zeng, Lin Zhang, Hongyi Chen
Summary: By doping S and Te, the electronic band structure of the second phase is adjusted, resulting in high carrier mobility and power factor in Cu2Se-based composite materials. The dispersed second-phase Cu2Se0.88S0.06Te0.06, dislocations, and nanograins were observed, leading to a substantial reduction in the thermal conductivity. High figure of merit (zT) values of 2.04 (by Dulong-Petit heat capacity) and 2.34 (by Differential Scanning Calorimetry (DSC) measured heat capacity) were achieved at 850 K, which are 65% higher than that of Cu2Se in this work and comparable to the recently reported p-type Cu2Se with outstanding performance.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
J. Zamora, T. Bautista, N. S. Portillo-Velez, A. Reyes-Montero, H. Pfeiffer, F. Sanchez-Ochoa, H. A. Lara-Garcia
Summary: Experimental and DFT studies were conducted on the structural, magnetic, and optical properties of RFeO3 perovskites. The perovskites exhibited an orthorhombic crystal structure and weak ferromagnetic behavior. They were confirmed to be semiconductors with a bandgap of approximately 2.1 eV.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xianxiang Lv, Jing Jin, Weiguang Yang
Summary: By depositing TiN and TiO2 surface layers on AlSi films, the electrochemical performance of silicon-based anodes can be significantly improved, suppressing volume expansion and promoting the formation of a stable SEI layer.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Sharafat Ali, Haider Ali, Syedul Hasnain Bakhtiar, Sajjad Ali, Muhammad Zahid, Ahmed Ismail, Pir Muhammad Ismail, Amir Zada, Imran Khan, Huahai Shen, Rizwan Ullah, Habib Khan, Mohamed Bououdina, Xiaoqiang Wu, Fazal Raziq, Liang Qiao
Summary: The construction and optimization of redox-heterojunctions using a bifunctional phosphate as an electron-bridge demonstrated significant improvements in photo catalytic activity, including enhanced dispersion, reduced interfacial migration resistance, and increased abundance of active-sites.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ren-Ni Luan, Na Xu, Chao-Ran Li, Zhi-Jie Zhang, Yu-Sheng Zhang, Jun Nan, Shu-Tao Wang, Yong-Ming Chai, Bin Dong
Summary: Extensive research has revealed that oxygen evolution reaction (OER) in alkaline conditions involves dynamic surface restructuring. The development and design of sulfide/oxide pre-catalysts can reasonably adjust the composition and structure after surface reconstruction, which is crucial for OER. This study utilized a simple two-step hydrothermal method to achieve in situ S leaching and doping, inducing the composition change and structure reconstruction of CoFe oxides. The transformed FeOOH and CoOOH exhibited excellent OER activity and could be easily mass-produced using low-cost iron based materials and simple methods.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jun'an Lai, Daofu Wu, Peng He, Kang An, Yijia Wang, Peng Feng, WeiWei Chen, Zixian Wang, Linfeng Guo, Xiaosheng Tang
Summary: Zero-dimensional organic-inorganic metal halides (OMHs) are gaining attention in the fabrication of light-emitting diodes due to their broad emission band and high photoluminescence quantum yield. This work synthesized a zero-dimensional organic tetraphenylphosphonium bismuth chloride (TBC) that showed efficient blue light emission, with the emission mechanism attributed to the transition of Bi3+ ions. White light-emitting diodes (WLEDs) were fabricated using TBC, along with green-emitting and red-emitting single crystals, achieving single-component white emissions. These findings demonstrate the different emission mechanism of ns2 ions-based OMHs and highlight the potential of bismuth-based OMHs in WLEDs applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xuewei Liang, Yunhai Su, Taisen Yang, Zhiyong Dai, Yingdi Wang, Xingping Yong
Summary: The revolutionary design concept of high-entropy alloys has brought new opportunities and challenges to the development of advanced metal materials. In this work, AlCrCuFe2NiTix high-entropy flux cored wires were prepared by combining the design idea of a high-entropy alloy with the characteristics of flux cored wire. AlCr-CuFe2NiTix high-entropy surfacing alloys were prepared using gas metal arc welding technology. The wear properties of the alloys were analyzed, and the phase composition, microstructure, strengthening mechanism, and wear mechanism were discussed. The results show that the alloys exhibit a dendritic microstructure with BCC/B2 + FCC phases. Increasing Ti content leads to the precipitation of Laves phase. The alloys show improved microhardness and wear resistance due to the precipitation of coherent B2 and Laves phases. However, excessive Ti addition results in the increase of Laves phase and reduced wear resistance of the alloys.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
M. Vadivel, M. Senthil Pandian, P. Ramasamy, Qiang Jing, Bo Liu
Summary: This work presents the enhanced photocatalytic and electrochemical performance of g-C3N4 assisted PAA on CoFe2O4 ternary nanocomposites. The incorporation of PAA and g-C3N4 improves the separation efficiency of photogenerated charge carriers, resulting in superior photocatalytic degradation and high specific capacitance values.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Vibhu T. Sivanandan, Ramany Revathy, Arun S. Prasad
Summary: In this study, pure and doped cobalt ferrite nanoparticles were prepared using the sol-gel auto-combustion method with the aid of lemon juice as eco-fuel. The crystal structure, lattice parameter, crystallite size, microstrain, optical parameters, and room temperature magnetic properties of the samples were analyzed. The effect of doping on the magnetic properties was also investigated.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qing Guo, Bowen Zhang, Benzhe Sun, Yang Qi
Summary: This study prepared ZnO films with various nonpolar preferred orientations using conventional chemical bath deposition method and characterized their growth process and mechanism. It was found that the type and concentration of nitrate could control the preferred orientation and surface roughness of ZnO films. Additionally, ZnO films with different preferred orientations exhibited different optical properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Chong Zhang, Yan Liu, Zhaoyan Wang, Hang Yang
Summary: In this study, six bimetallic FeCo particles were synthesized via the hydrothermal method at different Fe:Co ratios. The Fe:Co ratio not only modulates the composition of the particles but also influences their structure and magnetic properties. The FeCo alloys showed a transformation from an Fe-based structure to a Co-based structure with increasing Co content. The Fe:Co ratio of 1:1 and 3:1 resulted in particles with the highest and lowest saturation magnetization, respectively.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jianning Zhang, Jing Li, Yiren Wang, Xiaodong Mao, Yong Jiang
Summary: We conducted a study on the formation of ultra-fine Y-Ti-Ta-O nano-oxides in Ta+B micro-alloyed 13CrWTi-ODS alloys using electron microscopy and first-principles calculations. The Y-Ti-Ta-O nano-oxides were found to be mainly Y2(Ti,Ta)2O7, with an average size of 7 nm and a number density of 6.8 x 1023 m-3. Excess boron was found to enhance the adhesion of some low-sigma grain boundaries but weaken the Fe/Y2Ti2O7 interface, while excess tantalum enhanced the Fe/Y2Ti2O7 interface but caused serious degradation of grain boundaries.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Yirong Fang, Pei Cheng, Hang Yuan, Hao Zhao, Lishu Zhang
Summary: A new composite system of nitrogen-doped reduced graphene oxide and black phosphorus quantum dots has been developed for tumor therapy, showing improved electrochemical properties and stability. The system generates hydrogen peroxide and hydroxyl radical to effectively kill tumor cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xiufang Qin, Yuanli Ma, Hui Zhang, Ting Zhang, Fang Wang, Xiaohong Xu
Summary: The structure and magnetism of cobalt ferrites after Mn2+-Tb3+ co-doping were studied. Co-doped samples exhibited cubic spinel structure and spherical shape of ferrite nanoparticles. The redistribution of Co2+ and Fe3+ ions between octahedral and tetrahedral sites was observed due to Mn2+-Tb3+ co-doping. The coercivity and magnetization saturation of co-doped samples were significantly improved, leading to a maximum energy product that is 190% higher than that of the un-doped sample.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ho Yeon Lee, Wonjong Yu, Yoon Ho Lee
Summary: Recently, there has been an increasing interest in developing ultra-fine nanostructured electrodes with extensive reaction areas to enhance the performance and low-temperature operation of solid oxide fuel cells. The use of a refined approach involving co-sputtering metal alloys and oxide targets has demonstrated the feasibility of nano-columnar structures in perovskite-based electrodes, expanding the temperature range of thin film electrodes. This study systematically examines the effects of chamber pressure control in the co-sputtering process and identifies the intricate relationship between sputtering pressure and film structure. By fine-tuning the columnar growth in the electrode, significant improvements in performance and thermo-mechanical properties were achieved, resulting in high-performance all-sputtered solid oxide fuel cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qianyun Bai, Xiaoxiao Yan, Da Liu, Kang Xiang, Xin Tu, Yanhui Guo, Renbing Wu
Summary: This study proposes a simple method to develop a non-precious transition metal-based electrocatalyst with high catalytic activity and robustness for the hydrogen evolution reaction. The as-synthesized electrode exhibits a low overpotential and high current density, indicating its potential in energy conversion.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)