Article
Chemistry, Physical
Xinxin Wang, Shuhui Zhang, Yuanyuan Wang, Shiqiang Yu, Baibiao Huang, Ying Dai, Wei Wei
Summary: This study investigates the interfacing effects within emergent two-dimensional materials using first-principles calculations. It reveals weak interfacing interactions in out-of-plane heterostructures and interesting band gap transitions and alignments in in-plane heterostructures. Moreover, it demonstrates the semiconductor-metal crossover in electronic heterostructures and the stabilizing effect of phase boundaries on unstable or metastable monolayers. The metallic behavior at 60 degrees grain boundaries is mainly attributed to edge atoms.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Corneliu Doroftei, Aurelian Carlescu, Liviu Leontie, Ramona Danac, Cristina Maria Al-Matarneh
Summary: This study investigates the structural, electrical, and optical properties of recently synthesized pyrrolo[1,2-i][1,7] phenanthrolines derivatives in thin films. The films were deposited on glass substrates using a spin coating technique and chloroform as a solvent. The results show that the thin films exhibit a polycrystalline structure with n-type semiconductor behavior after heat treatment. The thermal activation energy ranges from 0.68 to 0.78 eV, and the direct optical band gap values are between 4.17-4.24 eV. The electrical and optical properties are discussed in relation to the microstructural properties determined by the molecular structure. These organic compounds show promise for applications in organic optoelectronics and nanoelectronics.
Article
Chemistry, Physical
Puxin Cheng, Geng Li, Shuming Zeng, Yunlong Li, Xiangfei Meng, Jialiang Xu
Summary: In this study, several stable and metastable boron phosphorus (BmPn) monolayer 2D compounds with good electronic properties and mechanical performance were theoretically predicted. These compounds have wide applications in spintronics and optoelectronics.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Physics, Condensed Matter
Yu P. Gnatenko, P. M. Bukivskij, R. Gamernyk, A. P. Bukivskii, M. S. Furyer, M. M. Kolesnyk, D. Kurbatov, A. S. Opanasyuk
Summary: This work investigates the crystal structure and optical properties of CdTe thin films depending on the deposition conditions. In addition to structural measurements, exciton is used as a probe to evaluate the defect structure and optical quality of the films. The growth mechanism of the films is determined and microstructural characteristics of CdTe:Yb thin films are obtained. The results provide a correlation between the microstructural parameters of the films and their exciton spectra, allowing for significant improvement in the structural and optical properties of CdTe thin films for modern optoelectronic applications.
PHYSICA B-CONDENSED MATTER
(2022)
Article
Chemistry, Physical
Yong Pan
Summary: This study investigates the influence of hydrogen on the TM3Si silicides using first-principles calculations, revealing its effects on the structural stability, mechanical properties, and thermodynamic properties of the materials.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Materials Science, Multidisciplinary
Hui Guo, Xudong Zhang, Feng Wang
Summary: The overall performances of hydrogenated RE5Si4 were explored and discussed through first-principles calculations, providing theoretical support for the development and application of RE5Si4 silicides. It was found that hydrogenated RE5Si4 is thermodynamically stable but exhibits worse mechanical properties. Additionally, the electronic jump between occupied and empty states can be improved by hydrogen atomic doping.
Article
Materials Science, Ceramics
R. M. T. Araujo, K. D. Machado, M. C. Siqueira, S. F. Stolf, C. M. Oliveira
Summary: The structural and optical properties of an amorphous SnSe9 alloy made using mechanical alloying were investigated. The results showed that the structure of SnSe9 is very different from crystalline Sn-Se alloys, and it has a large optical gap.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Chemistry, Physical
Yabei Wu, Zhao Tang, Weiyi Xia, Weiwei Gao, Fanhao Jia, Yubo Zhang, Wenguang Zhu, Wenqing Zhang, Peihong Zhang
Summary: The synthesized MoSi2N4 is demonstrated to be an ideal 2D semiconductor with robust band edge states protected from environmental chemical coupling effects. Its quasiparticle and excitonic properties can be modulated through nonlocal dielectric screening effects.
NPJ COMPUTATIONAL MATERIALS
(2022)
Article
Chemistry, Physical
Caio M. Miliante, J. P. Dotto de Matos, Andre R. Muniz
Summary: The synthesis of double core carbon nanothreads (NTHs) has been achieved by compressing aromatic molecules containing two rings connected by short chains featuring either double or triple bonds. The structure of these NTHs is characterized by two conventional 1D NTHs cores, interconnected by covalent bonds arranged in several ways.
Article
Materials Science, Multidisciplinary
Sushmitha P. Rao, Ajay Kumar Saw, Chanderbhan Chotia, Gunadhor Okram, Vijaylakshmi Dayal
Summary: This article discusses the synthesis of manganese silicides and the effect of silicon content on their phase formation, transport, and thermoelectric characteristics. The study found that increased silicon content can decrease the secondary MnSi phase and improve the power factor of the alloy.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2021)
Article
Engineering, Electrical & Electronic
G. Ajay, Aftab Alam, M. Mohamed Sheik Sirajuddeen
Summary: In this study, the full-potential linearized augmented plane wave method is used to investigate the properties of SiZrO3 and GeZrO3. It is found that these compounds have narrow band gaps and are stable in the anti-ferromagnetic phase. They also exhibit strong interatomic bonding and are potentially suitable for solar cell applications.
SEMICONDUCTOR SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Physical
Mohamed A. Helal, H. M. El-Sayed, Ahmed A. Maarouf, Mohamed M. Fadlallah
Summary: The study investigated the impact of different pore structures on 2D-TMD using density functional theory, revealing higher stability for smaller pores, lattice deformation and decreased Young's modulus with increasing pore size. Certain systems exhibited magnetism due to missing metal atoms, while the emergence of metal states at pore edges resulted in some systems being half-metallic. Oxygen passivation restored metallic behavior in the systems.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Materials Science, Ceramics
Priyanka Priyadarshini, Subhashree Das, Devarajan Alagarasan, Rajamanickam Ganesan, Selvaraj Varadharajaperumal, Ramakanta Naik
Summary: The paper investigated the effects of Bi concentration on the properties of thermally evaporated BixIn35-xSe65 thin films, finding changes in structural, linear, and non-linear optical characteristics with increasing Bi %. The linear optical parameters increased while the non-linear refractive index and susceptibility showed significant increments with Bi % concentration, making the materials suitable for non-linear optical applications.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Polymer Science
M. Yehia, Sh Labib, S. M. Ismail
Summary: Zn1-xCdxO (x = 0, 0.001, 0.01, 0.1) nanoparticles were prepared using polyol technique and characterized using various methods. The samples showed high purity and crystallized in a specific phase, with one sample exhibiting room temperature ferromagnetism while others displayed diamagnetic behavior. ESR measurements indicated the presence of different types of defects in the prepared samples.
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS
(2021)
Article
Materials Science, Ceramics
Subhashree Das, Priyanka Priyadarshini, Devarajan Alagarasan, Selvaraj Vardhrajperumal, Rajamanickam Ganesan, Ramakanta Naik
Summary: Te-doped Ag60-xSe40Tex thin films were prepared and characterized. The addition of Te significantly reduced the bandgap values and increased the linear refractive index. The study provides important insights for exploring nonlinear photonic devices.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Nanoscience & Nanotechnology
Zhenyu Wang, Xinyu Shen, Chengyuan Tang, Xin Li, Junhua Hu, Jinyang Zhu, William W. Yu, Hongwei Song, Xue Bai
Summary: In this study, a method of improving the performance of perovskite quantum dots (QDs) by introducing 4-trifluoro phenethylammonium iodide during the synthesis was introduced. This substance modified the defects on the QD surface and partially replaced the original surface ligand, resulting in brighter and more efficient QDs.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Yajiao Zhou, Yanqing Liang, Junwei Fu, Kang Liu, Qin Chen, Xiqing Wang, Hongmei Li, Li Zhu, Junhua Hu, Hao Pan, Masahiro Miyauchi, Liangxing Jiang, Emiliano Cortes, Min Liu
Summary: This study demonstrates the enhanced efficiency of CO2 electrocatalytic reduction to multicarbon products by regulating the arrangement of Cu nanoneedle arrays to obtain a strong local electric field. The results contribute to the design of highly efficient catalysts for multicarbon products.
Article
Chemistry, Multidisciplinary
Hang Zhang, Tao Luo, Yan Long, Yingkang Chen, Junwei Fu, Hui Liu, Junhua Hu, Zhang Lin, Liyuan Chai, Min Liu
Summary: This study demonstrates that three-coordinated aluminum is the dominant active site for the hydrolytic decomposition of CF4, supported by experimental and computational evidence. This finding is of significance for reducing CF4 emissions and mitigating global warming.
ENVIRONMENTAL SCIENCE-NANO
(2022)
Article
Chemistry, Physical
Angang Song, Suxiang Liu, Qinpu Wang, Daowei Gao, Junhua Hu
Summary: In this study, Cu11V6O26 thin film photoanodes were successfully prepared by a low-cost solution-based method and their optical and photoelectrochemical properties were systematically investigated. The results showed that Cu11V6O26 has an ideal bandgap and high photon-to-current conversion efficiency, indicating its potential application in solar water splitting reactions.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Hongyu Yang, Ming La, Ziming Wang, Ting Tan, Mingxia Qin, Junhua Hu, Chenghao Yang
Summary: A solid oxide fuel cell (SOFC) anode with a NiFe bimetal alloy/(NiFe)O-x core-shell-structured nanocatalyst-decorated ceramic substrate was fabricated, exhibiting excellent catalytic activity towards H-2 and hydrocarbon fuels, as well as outstanding coking resistance.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Xinyu Shen, Zhenyu Wang, Chengyuan Tang, Xiangtong Zhang, Bo Ram Lee, Xin Li, Daguang Li, Yu Zhang, Junhua Hu, Dan Zhao, Fujun Zhang, William W. Yu, Bin Dong, Xue Bai
Summary: This study demonstrates the achievement of electroactivated near-infrared light-emitting diodes (LEDs) based on Yb3+-doped CsPb(Cl1-xBrx)3 perovskite nanocrystals (PNCs), with emission peaks over 800 nm. These NIR LEDs exhibit extraordinary high near-infrared photoluminescence quantum yields over 170%. The main mechanism of electroluminescence (EL)-activated Yb3+ is revealed to be the ultrafast quantum cutting process from the PNC host.
Article
Materials Science, Multidisciplinary
Nan Wang, Rui Sun, Wen Xu, Xue Bai, Junhua Hu, Siyu Lu, Donglei Zhou, Hongwei Song
Summary: Doping with Sb3+ greatly improves the PLQY of Mn2+ emission in CsPbCl3 NCs. LEDs based on CsPbCl3:Mn2+, Sb3+ NCs achieve improved EQE and luminance.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Review
Physics, Applied
Yanan Ji, Wen Xu, Ilia L. Rasskazov, Haichun Liu, Junhua Hu, Mao Liu, Donglei Zhou, Xue Bai, Hans agren, Hongwei Song
Summary: Metal halide perovskite materials have been extensively explored in modern photonic devices. Photonic crystals can significantly improve the performance of perovskite luminescent materials and/or photoelectric devices. A full understanding of the key role of photonic crystals is essential for realizing the inherent potential of such devices.
APPLIED PHYSICS REVIEWS
(2022)
Article
Chemistry, Multidisciplinary
Jinjin Ban, Hongjie Xu, Guoqin Cao, Yameng Fan, Wei Kong Pang, Guosheng Shao, Junhua Hu
Summary: Novel iron-rich nitride nanoparticles with tunable electronic and bonding characteristics were designed and anchored on N-doped porous carbon for potential use in energy storage and conversion. The synergistic effects of phase transition and electron-spin regulation on oxygen electrocatalysis were demonstrated. The (CoxFe1-x)(3)N@NPC core-shell structure with high dispersibility was induced by an intermediate phase transition process, which effectively prevented the coarsening of metallic nitrides. The incorporation of cobalt regulated the spin polarization of d-band electrons, and the optimal cobalt content (Co0.17Fe0.83)(3)N@NPC showed improved bifunctional catalytic performances in balancing the adsorption of *O-2 and the hydrogenation of *OH.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Engineering, Electrical & Electronic
Sen Liu, Wen Xu, Lu Zi, Nan Ding, Junhua Hu, Jinyang Zhu, Donglei Zhou, Xue Bai, Xu Chen, Hongwei Song
Summary: Self-powered narrowband near-infrared photodetectors based on perovskite films doped with organic dyes (Rhodamine 800) are presented. The doping of Rhodamine 800 allows for adjusting the carrier recombination in perovskites and manipulating the wavelength response range of the photoactive layer through charge collection narrowing technology. The prepared MAPbI3/Rhodamine 800 photodetectors exhibit a narrow spectral response window of 700-800 nm with a full width at half-maxima of less than 60 nm. These characteristics are also observed in other inorganic perovskite films. This design scheme provides an idea to develop wavelength-selective and narrowband photodetectors with excellent business value and multiple application prospects.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
Review
Chemistry, Physical
Xiaowen Guo, Fen Zhang, Yongcai Zhang, Junhua Hu
Summary: This study reviews the application progress of SnS2 in photocatalysis, introduces the properties of SnS2 materials in various photocatalytic applications and related mechanisms. The main activity improvement methods of SnS2 photocatalysts and possible development directions in the future are discussed and researched.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Materials Science, Multidisciplinary
Zhiyuan Fang, Nan Ding, Wen Xu, Tianyuan Wang, Yue Wang, Lu Zi, Junhua Hu, Siyu Lu, Donglei Zhou, Xue Bai, Hongwei Song
Summary: By incorporating lanthanide ions (Ln(3+) = Pr3+, Gd3+, Nd3+, Eu3+, Tm3+, Ho3+, and Yb3+) into all-inorganic CsPbI2Br films, the film quality is significantly improved, leading to enhanced performance of photodetectors (PDs).
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Anqi Liu, Po Lu, Min Lu, Xiaomei Chai, Yu Liu, Gangyun Guan, Yanbo Gao, Zhennan Wu, Xue Bai, Junhua Hu, Dingdi Wang, Yu Zhang
Summary: The performance of quasi-2D perovskite LEDs is significantly improved by introducing the multifunctional additive MTA, which enhances energy transfer and promotes charge transport.
Article
Chemistry, Multidisciplinary
Hongyu Yang, Ming La, Ziming Wang, Ting Tan, Mingxia Qin, Junhua Hu, Chenghao Yang
Summary: The use of BSNFM-NFA/NFO ceramic anode improves the catalytic activity and coking resistance of solid oxide fuel cells.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Ying Zhang, Hanisha Ponnuru, Qinting Jiang, Hui Shan, Hirbod Maleki Kheimeh Sari, Wenbin Li, Jingjing Wang, Junhua Hu, Jianhong Peng, Xifei Li
Summary: This study reports a facile and scalable approach to prepare large-flake, few-layer MoS2 nanosheets using ultrasonics. The relationship between the structure and electrochemical performance of the MoS2 nanosheets was investigated through various spectroscopic techniques and electrochemical tests. The results demonstrate that the prepared MoS2 nanosheets exhibit promising performance as anode materials for lithium-ion batteries.
