Article
Nanoscience & Nanotechnology
Lijie Li
Summary: This study discovered that substitutionally doped beta -Ga2O3 exhibits piezoelectric properties through first principles method, while previous research mostly focused on increasing electrical conductivity and forming semiconductor heterojunctions. Additionally, the formation energy was found to have a clear relation with the piezoelectric coefficient.
Article
Crystallography
Xianjian Long, Wenlong Niu, Lingyu Wan, Xian Chen, Huiyuan Cui, Qinglin Sai, Changtai Xia, Devki N. Talwar, Zhechuan Feng
Summary: Systemic investigations were conducted to understand the structural, optical, and electrical characteristics of four niobium-doped beta-Ga2O3 crystals grown by the OFZ method. Different doping levels of niobium affected the bandgap energies and luminescence features, impacting the electronic energy structure. Increasing the Nb doping level led to the Fermi level moving closer to the bottom of the conduction band, but no further improvement in electronic properties was observed at 0.5 mol% Nb doping level.
Article
Crystallography
Jifei Liu, Shanshan Gao, Weixue Li, Jianfeng Dai, Zhongqiang Suo, Zhengting Suo
Summary: The study found that the Si-doped beta-Ga2O3 with vacancy system has good conductivity and absorptivity, with a significant improvement in light absorption capability.
CRYSTAL RESEARCH AND TECHNOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Debabrata Das, Guillermo Gutierrez, C. V. Ramana
Summary: Using Raman scattering analyses, this study investigates the effect of Sn incorporation on the crystal structure, chemical bonding, and phase formation of Ga2O3 compounds. The results show that Sn-induced changes in chemical bonding and phase segregation are significant. The study also reveals the evolution of Sn-O bonds with increasing Sn concentration.
Article
Engineering, Electrical & Electronic
Pramod Mandal, Udai P. Singh, Sudesna Roy
Summary: The structure-properties correlation of Eu-doped beta-gallium oxides was studied using experimental and first-principle studies. The results showed that the thin films had nanocrystalline structures with small grain size and preferred orientation. The band gap energy of the material decreased on Eu doping, leading to improved visible light absorption. The first-principle study confirmed the experimental results.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2023)
Article
Chemistry, Inorganic & Nuclear
Fatima Safieddine, Fouad El Haj Hassan, Michel Kazan
Summary: In this study, the FP-LAPW thorn lo method was used to investigate the properties of Ga2O3, including structural, electronic, elastic, optical, thermodynamic, and transport properties. The results show that Ga2O3 has potential applications in optoelectronics and thermoelectrics.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Physics, Condensed Matter
Dong Wei, Yi Li, Gaofu Guo, Heng Yu, Yaqiang Ma, Yanan Tang, Zhen Feng, Xianqi Dai
Summary: Integrating 2D materials into van der Waals heterostructures is an effective strategy for multifunctional devices. Strong ferroelectricity in van der Waals heterostructures offers promising applications in new electronic devices. The reversed polarization transitions in 2D ferroelectric Ga2O3 layers provide a new approach to study the electronic structure and optical properties of modulated WS2/Ga2O3 vdWHs. By designing WS2/Ga2O3? and WS2/Ga2O3? vdWHs, the characteristics through electric field and biaxial strain can be explored.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Chemistry, Physical
Abhay Kumar Mondal, Mohd Ambri Mohamed, Loh Kean Ping, Mohamad Fariz Mohamad Taib, Mohd Hazrie Samat, Muhammad Aniq Shazni Mohammad Haniff, Raihana Bahru
Summary: This study investigated the effect of calcium doping on the band structure of gallium oxide, demonstrating that Ca doping can decrease the bandgap, increase p-type conductivity, and enhance absorptivity in the visible region.
Article
Materials Science, Multidisciplinary
Xueqiang Xiang, Li-Heng Li, Chen Chen, Guangwei Xu, Fangzhou Liang, Pengju Tan, Xuanze Zhou, Weibing Hao, Xiaolong Zhao, Haiding Sun, Kan-Hao Xue, Nan Gao, Shibing Long
Summary: In this study, high-quality β-Ga2O3 films were epitaxially grown using MOCVD with different donor concentrations, and their shallow donor states were investigated. The unintentional doping effects were found to have a significant impact on the donor states, and a method to reduce the unintentional doping effect was proposed.
SCIENCE CHINA-MATERIALS
(2023)
Article
Chemistry, Physical
Pengkun Li, Xueli Han, Duanyang Chen, Qinglin Sai, Hongji Qi
Summary: This study intentionally introduced V impurities to enhance the n-type conductivity of beta-Ga2O3 crystals, and systematically investigated the effects of air annealing on the structure, electrical, and optical properties of V-doped beta-Ga2O3 single crystals. The results showed improvements in the crystalline quality and surface flatness of beta-Ga2O3 after annealing, as well as changes in carrier concentration, optical transmittance, and phonon spectra. The variations were attributed to the presence of electron traps and the compensation of oxygen vacancies.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Physics, Multidisciplinary
Xin-Ya Yang, Shu-Min Wen, Ding-du Chen, Ting Li, Chun-Wang Zhao
Summary: The electronic structure and optoelectronic properties of Nb-doped beta-Ga(2)O(3) were investigated using the GGA + U method based on density functional theory. It was found that the system exhibited higher stability under Ga-rich conditions and that the stability decreased and the band gap narrowed with increasing Nb doping concentration.
Article
Materials Science, Multidisciplinary
Xuefen Cai, Fernando P. Sabino, Anderson Janotti, Su-Huai Wei
Summary: This study proposes efficient p-type doping in transparent oxides by adding a small amount of Bi2O3 into Ga2O3 to form dilute (BixGa1-x)(2)O-3 alloys. The addition of Bi raises the intermediate valence band energy, facilitating p-type doping, with commonly expected shallow acceptors showing deeper levels in the alloy. This understanding provides insights into doping semiconductor materials with a strongly correlated band edge state.
Article
Engineering, Electrical & Electronic
Ruidong Li, Jinxiang Deng, Peng Xie, Qing Zhang, Xue Meng, Juxin Luo, Guisheng Wang, Qianqian Yang, Hongli Gao
Summary: Niobium-doped monoclinic gallium oxide thin films of different thicknesses were deposited and studied. The films exhibited good crystal structure and smooth surface when the thickness was around 300 nm. The films' optical properties showed high transmittance above 80% in ultraviolet-visible light. The best crystal quality was observed at a thickness of around 300 nm.
JOURNAL OF ELECTRONIC MATERIALS
(2023)
Article
Chemistry, Physical
Hui Zeng, Meng Wu, Haixia Gao, Yuansheng Wang, Hongfei Xu, Meijuan Cheng, Qiubao Lin
Summary: This paper investigates the influence of iron doping on beta-Ga2O3 material using first-principles calculations. The results show that iron preferentially incorporates into the octahedrally coordinated gallium site and forms V-Ga and O-i defects under oxygen-rich conditions. Furthermore, the complexes FeGaGai and FeGaVGa can significantly enhance the optical absorption in the visible-infrared region of the beta-Ga2O3 material.
Article
Physics, Applied
Zhenni Yang, Xiangyu Xu, Yan Wang, Siliang Kuang, Duanyang Chen, Hongji Qi, K. H. L. Zhang
Summary: Si-doped beta-Ga2O3 thin films grown on vicinal a-Al2O3 (0001) substrates exhibit high electrical conductivity and deep ultraviolet (DUV) transparency, making them promising candidates for transparent electrodes. The use of miscut Al2O3 substrates promotes improved crystal quality and electrical properties. The Si-doped films achieved a high conductivity of 37 S cm(-1) and average DUV transparency of 85% on a 6 degrees miscut substrate. The films also exhibit low work function, making them suitable for efficient electron injection in DUV optoelectronic devices.
APPLIED PHYSICS LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Yingjie Chen, Liyuan Wu, Dan Liang, Pengfei Lu, Jianjun Wang, Jun Chen, Huawei Cao, Lihong Han
Summary: This paper systematically investigated the native point defects and impurities in group III nitride semiconductors using density functional theory calculations. It was found that defects reduce the elastic stiffness and bulk moduli of the nitrides. Nitrogen vacancies were identified as the most stable defects, while magnesium and oxygen impurities were observed to act as p-type or n-type dopants.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Chemistry, Physical
Gang Liu, Jingjing Li, Chao Dong, Liyuan Wu, Dan Liang, Huawei Cao, Pengfei Lu
Summary: This study investigates the effects of single-atom doping and vacancies on Pt/Pd-based dichalcogenides through first-principles calculations, revealing that most defective structures are thermodynamically stable and that hydrogen evolution performance is significantly improved by single-atom doping and vacancies, especially in Zn-doped and Te vacancy PtTe2.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Engineering, Electrical & Electronic
Huiyan Zhao, Pengfei Zhu, Qian Wang, Huawei Cao, Ge Wu, Jinbo Hao, Lihong Han, Liyuan Wu, Pengfei Lu
Summary: Chemical modification of ultraflat stanene with hydrogen and halogen atoms can effectively control the quantum spin Hall (QSH) state. The functionalization can lead to topological insulators (TIs) with band inversions and semimetal-to-semiconductor transitions, providing more choices for topological insulator materials and device applications.
JOURNAL OF ELECTRONIC MATERIALS
(2021)
Article
Chemistry, Physical
Yue Kuai, Changcheng Chen, Shuli Gao, Wen Chen, Jinbo Hao, Ge Wu, Feng Chen, Shuangna Guo, Liyuan Wu, Pengfei Lu
Summary: The structure and electronic properties of SiP3 monolayer, blue phosphorus, and silicene were systematically investigated based on first principles. The SiP3 monolayer was found to have high cohesive energy, excellent mechanical and thermal stability, and good electrical conductivity, making it a suitable candidate for high-performance anode material in Li, Na, and K-ion batteries.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Inorganic & Nuclear
Lihong Han, Yuanyuan Zou, Qimiao Zeng, Xiaoning Guan, Baonan Jia, Yongpan Gao, Gang Liu, Liyuan Wu
Summary: Based on first-principles calculations, the research reveals an interlayer interaction in two-dimensional PtTe2, leading to a decrease in band gap and a transition from semiconductor to semi-metal as the number of layers increases. This interaction is attributed to the p(z) orbitals of Te atoms in adjacent layers and is represented by a covalent-like Te⋯Te bond.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Nanoscience & Nanotechnology
Pengfei Zhu, Huiyan Zhao, Xue Li, Yunxiao Zu, Liyuan Wu, Changcheng Chen, Gang Liu
Summary: The successful preparation of ultraflat stanene on Cu (111) has potential applications in topological insulators. The mechanism behind the transition from a buckled structure to an ultraflat structure was investigated using first principle calculations. Different heterojunctions were constructed to analyze their impact on the topological properties of ultraflat stanene. The results indicate that only the van der Waals heterojunction of ultraflat stanene on MoS2 can maintain its topological properties, while chemical bond changes in the heterojunction with 4SiC alter the topological properties. The heterojunction of ultraflat stanene on MoS2 shows promise for topological devices.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2021)
Article
Chemistry, Multidisciplinary
Xue Li, Liyuan Wu, Shuying Cheng, Changcheng Chen, Pengfei Lu
Summary: By employing first-principles calculations, we investigate the structure, stability, and optical properties of perovskite and transition metal dichalcogenide (TMD) heterostructures, and find their potential applications in photoelectric devices.
Article
Chemistry, Physical
Yingjie Chen, Baonan Jia, Xiaoning Guan, Lihong Han, Liyuan Wu, Pengfei Guan, Pengfei Lu
Summary: In this study, vdW heterostructures consisting of six group III-V monolayers MX (M = Ga, In, X = P, As, Sb) were systematically investigated for their potential applications in solar cell materials. Different stacking configurations were designed and discussed. The results show that the heterostructures have energetically favorable properties and the stacking model BB-3 holds suitable type-II bandgaps for solar cell applications. GaSb/InSb and GaAs/InAs exhibit high power conversion efficiencies, making them promising candidates for optoelectronic devices.
APPLIED SURFACE SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Huiyan Zhao, Lihong Han, Baonan Jia, Yingjie Chen, Xiaoning Guan, Liyuan Wu, Pengfei Lu
Summary: Stable van der Waals heterostructures based on arsenic phosphorus (AsP) and transition metal dichalcogenides have been designed and studied. The results show that these heterostructures have desirable electronic and optical properties, and have potential applications in solar cell materials.
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Wenchao Niu, Zhongying Du, Chunyu Zhang, Deting Xu, Jiaojiao Li, Minghui Sun, Liyuan Wu, Haodong Yao, Lina Zhao, Xueyun Gao
Summary: The study reveals that gold clusters can inhibit the activity of TrxR1 in tumor cells by interacting with the Cys189 site in TrxR1, disrupting the electron transfer pathway between TrxR1 and Trx.
CHINESE CHEMICAL LETTERS
(2022)
Article
Chemistry, Physical
Xinhui Zhang, Jinbo Hao, Shuli Gao, Liyuan Wu, Ge Wu, Feng Chen, Le Gao, Pengfei Lu
Summary: Investigation on lithium-decorated C3N as a potential material for high capacity reversible hydrogen storage reveals its energetic and dynamical stability. Each Li atom can adsorb 10 hydrogen molecules at specific sites, reaching a hydrogen storage capacity of 8.81 wt%.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2022)
Article
Chemistry, Physical
Liyuan Wu, Chao Dong, Changcheng Chen, Lina Zhao, Pengfei Lu, Kesong Yang
Summary: In this study, the possibilities of enhancing the optoelectronic properties of Ge-based perovskites through interface engineering were explored. The results showed that the work function of the heterostructures can be tuned via using various termination groups, and 2D Sc2C MXene can significantly enhance light absorption.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Liyuan Wu, Chao Dong, Changcheng Chen, Lina Zhao, Pengfei Lu, Kesong Yang
Summary: By interfacial engineering between germanium iodine perovskite and 2D scandium-carbide MXene, the optoelectronic properties of Ge-based perovskites can be enhanced. The work function of the heterostructures can be tuned by using various termination groups, and 2D Sc2C MXene can significantly enhance light absorption.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Yue Kuai, Changcheng Chen, Elyas Abduryim, Shuli Gao, Wen Chen, Ge Wu, Liyuan Wu, Chao Dong, Weixia Zou, Pengfei Lu
Summary: Na-, K- and Mg-ion batteries have attracted attention for their abundance and safety. The lack of high-performance anode materials is a major obstacle to their development. This study discovered a metallic SnB monolayer with high binding energy and excellent stability. The SnB monolayer has multiple stable adsorption sites for Na-, K- and Mg-ions, leading to high theoretical capacities. Moreover, it exhibits low diffusion barriers and low open circuit voltages, ensuring long service life and fast charging.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Pengfei Zhu, Yunxiao Zu, Yue Kuai, Shuli Gao, Ge Wu, Wen Chen, Liyuan Wu, Changcheng Chen, Gang Liu
Summary: Research indicates that the Sn-X structures derived from stanene can meet the requirements of battery anodes well, with high storage capacity and low diffusion path barriers, making them excellent candidate materials for lithium-ion batteries.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Physics, Applied
Zi-Hao Wang, Jie Zhao, Li-Li Fu, Liao-Lin Zhang, Chun-Xiao Liu
Summary: This study reports on the preparation of optical waveguides in Dy3+-doped Y3Al5O12 transparent ceramics using proton implantation. The fabricated waveguides exhibit a high-quality waveguide structure and efficient light propagation.
MODERN PHYSICS LETTERS B
(2024)
Article
Physics, Applied
Ahmed Memdouh Younsi, Abdelaziz Rabehi, Lakhdar Gacem, Mohamed Toufik Soltani
Summary: In this study, first-principles calculations were used to investigate the structural, electronic, optical, and magnetic properties of SrCo1-xAxO3 (A=Fe or Cr, x=0.125 and 0.25) materials. It was found that the doping of Fe increased the magnetic moment and all materials exhibited metallic conductivity. The variations in the real part values suggested a Drude-like dielectric function behavior for this material.
MODERN PHYSICS LETTERS B
(2024)
Article
Physics, Applied
L. Derbali, F. Bouhjar, A. Derbali
Summary: This study reports on the deposition of highly transparent conducting n-type zinc oxide (ZnO) thin films on FTO substrates, using an optimized doping process. The results showed that 4% vanadium (V) doping significantly enhances the crystallinity of the thin films, improves the electrical conductivity and reduces deep level defects in ZnO. The V-doped ZnO thin films exhibit high transparency, enhanced UV emission, and improved carrier mobility, leading to higher photocatalytic performance.
MODERN PHYSICS LETTERS B
(2024)
Article
Physics, Applied
Lu Li, Xinpei Li, Lianhe Li
Summary: This study systematically investigates the effective elastic properties of 1D hexagonal quasicrystal (QC) with spring-type imperfect interfaces. The numerical results show that the presence of imperfect interfaces reduces the effective elastic constants to some extent, indicating the important role played by the interface in the elastic properties of QC composites.
MODERN PHYSICS LETTERS B
(2024)
Article
Physics, Applied
Probhu Mandal, Ajay Kumar Ghosh
Summary: In this paper, we have extracted the transport critical current density (Jc) of BaZrO3 added YBa2Cu3O7-delta by using several low electric field criteria. The temperature dependence of Jc and JcG is strongly affected by the choice of electric field criteria, especially at lower temperatures. We have also studied how different criteria may change the extraction of associated coefficients and found that the extrapolated Jc and JcG are highly sensitive to the criteria used.
MODERN PHYSICS LETTERS B
(2024)
Article
Physics, Applied
Zhenghao Cai, Zhiwen Wang, Hongyu Zhao, Ming Li, Bowei Li, Liangchao Chen, Hongan Ma, Xiaopeng Jia
Summary: In this study, the growth characteristics and surface growth process of diamond crystals were further investigated by controlling the impurity content. The results showed that the spontaneous nucleation rate, growth characteristics, and impurity concentration of diamond crystals were significantly affected by the introduction of impurities. The presence of impurities blocked the mutual diffusion between the metal solvent and carbon source, resulting in a decrease in the growth rate of diamond crystals and hindering the surface processes of diamond growth.
MODERN PHYSICS LETTERS B
(2024)
Article
Physics, Applied
Ruizhi Yang, Yunkai Li, Wanpeng Lin, Jun Xu, Lige Wang, Jing Liu
Summary: Selenium selenide (SnSe) has gained attention for its environmental friendliness and low thermal conductivity. Single-crystal SnSe has high thermoelectric properties but is mechanically weak and difficult to manufacture, making it not suitable for commercial usage. Polycrystalline SnSe is easier to synthesize but has poor thermoelectric performance. In this study, polycrystalline SnSe samples are prepared using hydrothermal synthesis combined with vacuum sintering, and their thermoelectric properties are modified through alkali metal element doping.
MODERN PHYSICS LETTERS B
(2024)
Article
Physics, Applied
Mohammed El Amine Monir, Hadj Baltach, Ibtisam F. Al-Maaitah, A. F. Al-Maaitah, Amel Laref
Summary: The structural, electronic and optical properties of Cu2(1-x)Ag2xO alloys were investigated using density functional theory. The compounds were found to be semiconductors based on the equilibrium lattice parameters and electronic structure calculations. Additionally, the optical properties were calculated.
MODERN PHYSICS LETTERS B
(2024)
Article
Physics, Applied
Yi Liu, Jiangtao Xu, Pingan Liu
Summary: In this study, the melting and annealing behaviors of aluminum nanoparticles were simulated using the ReaxFF reactive force field. The physical properties of aluminum and aluminum oxide were effectively reflected in the simulations. The presence of an oxide layer has an impact on the annealing behavior.
MODERN PHYSICS LETTERS B
(2024)
Article
Physics, Applied
P. Chandini Pattanaik, S. Jena, S. R. Mishra
Summary: This study investigates the two-dimensional time-dependent flow of nanofluid over a permeable stretching or sinking sheet. The inclusion of a transverse magnetic field, magnetic dissipation, and thermal radiation enriches the flow phenomena. The use of nanofluids is of increasing importance in various industrial applications, as well as engineering and biomedicine.
MODERN PHYSICS LETTERS B
(2024)
Article
Physics, Applied
Muhammad Farooq, Hijaz Ahmad, Dilber Uzun Ozsahin, Alamgeer Khan, Rashid Nawaz, Bandar Almohsen
Summary: This paper investigates the Poiseuille flow of non-isothermal couple stress fluid of Reynolds model between two heated parallel inclined plates using the AHPM and OHAM-DJ methods. The approximate solutions for various flow properties are obtained and compared, showing excellent resemblance between the two methods.
MODERN PHYSICS LETTERS B
(2024)
Article
Physics, Applied
Shyam Lal Gupta, Sumit Kumar, Samjeet Singh Anupam, Samjeet Singh Thakur, Sanjay Panwar, Diwaker
Summary: This study investigates the structural, electronic, mechanical, and thermoelectric properties of the iridium-based Heusler alloys Ir2V (In, Sn). The alloys exhibit half-metallic behavior, with large magnetic moments and mechanical stability, making them promising candidates for high-temperature thermoelectric applications.
MODERN PHYSICS LETTERS B
(2024)