Article
Physics, Condensed Matter
Mengyuan Zhang, Xuting He, Yuli Xue, Zedong Lin, Ning-Hua Tong, Wenzhen Lai, S. Liang
Summary: The thermoelectric properties of Cu2O powder were improved through interface modification, resulting in higher Seebeck coefficient and power factor. The Cu2O-Au composite powder has a narrower band gap and higher electronic density of states in the conductance band compared to raw Cu2O powder. Powder form thermoelectric devices (P-TE) prepared without sintering offer an alternative paradigm for mass fabrication with low cost.
SOLID STATE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Patricio Paredes, Erwan Rauwel, David S. Wragg, Laetitia Rapenne, Elias Estephan, Olga Volobujeva, Protima Rauwel
Summary: This study investigates the solar-driven photocatalytic degradation of methylene blue using Cu-Cu2O-Cu3N nanoparticle mixtures. The sample with the highest quantity of Cu3N exhibits the highest degradation efficiency.
Article
Materials Science, Multidisciplinary
Souman Pahi, Bikash Mahapatra, Abhijit Behera, Satish Kumar Singh, Raj Kishore Patel
Summary: The fabrication of binary p-n heterojunction and the band alignment at the interface of the individual semiconductor photocatalyst were studied to demonstrate their superior charge separation and migration capability in photocatalytic applications. A wet chemical and hydrothermal fabrication strategy was employed to create the binary p-n Ag3PO4/Cu2O heterostructures. The movement of electron-hole pairs and the enhancement of catalytic activity were achieved through the interfacial space charge junction.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Min Zhang, Wei Liu, Cheng Zhang, Sen Xie, Zhi Li, Fuqiang Hua, Jiangfan Luo, Zhaohui Wang, Wei Wang, Fan Yan, Yu Cao, Yong Liu, Ziyu Wang, Ctirad Uher, Xinfeng Tang
Summary: This study achieved independent manipulation of Te vacancies and antisite defects in n-Bi2Te3 films, leading to the discovery of the crucial role of TeBi antisites in enhancing the thermoelectric power factor. Angle-resolved photoemission spectroscopy and transport studies revealed previously unknown detrimental effects of BiTe antisites and VTe to BiTe transformations on electronic transport properties.
Article
Chemistry, Physical
Liumao Tan, Xingcheng Wang, Wenjun Zhu, Anjiang Li, Yuanyu Wang
Summary: The effects of BiFeO3 superfine particles on the properties of lead-free piezoelectric ceramic were investigated, resulting in optimized piezoelectric properties. The enhancement mechanism involves factors such as T phase proportion, nanodomains, and 180 degrees domain walls. Additionally, comparison with ceramics prepared by different methods revealed the influence of Schottky barrier and superior piezoelectric properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Multidisciplinary
Cheng Zhang, Zhe Chen, Hui Bai, Weixiao Lin, Ming Yang, Min Hong, Fangyang Zhan, Sen Xie, Min Zhang, Ziwei Li, Zhaohui Wang, Yubo Luo, Junyou Yang, Rui Wang, Jinsong Wu, Hang Zhang, Qingjie Zhang, Wei Liu, Xinfeng Tang
Summary: In this study, (1T'-MoTe2)(x)(Bi2Te3)(y) superlattice films with symmetry-mismatch were fabricated via molecular beam epitaxy. Manipulating the interfacial band bending effectively optimized the thermoelectric performance.
Article
Chemistry, Inorganic & Nuclear
Jin Du, Yongjian Hu, Xia Wan, Shaolong Tie, Sheng Lan, Xingsen Gao
Summary: The construction of type-II or S-scheme heterojunctions using Cu2O and Cu-4(SO4)-(OH)(6)center dot H2O with different crystal structures can effectively enhance charge migration and inhibit electron-hole recombination, leading to improved catalytic performance.
INORGANIC CHEMISTRY
(2023)
Article
Green & Sustainable Science & Technology
Shifa Fan, Yuanwen Gao, Alireza Rezania
Summary: A three-dimensional model of wearable TEGs encapsulated in PDMS material was established to investigate their thermoelectric performance and mechanical reliability under bending loads. The study examined the effects of leg shape, filling factor, and leg height on the performance of wearable TEGs, and suggested that increasing the number of thermocouples can enhance thermoelectric performance and flexibility.
Article
Engineering, Chemical
Yanpeng Liu, Hongbin Yu, Xue Cui, Yunhe Gong, Ying Lu, Weichao Qin, Mingxin Huo
Summary: A photocatalyst with a Z-scheme structure (N-C3N4/Cu/Cu2O) was successfully prepared to mitigate Cu2O photocorrosion and enhance photocatalytic activity. Nitrogen doping significantly increased the photocatalytic activity of C3N4, improving the overall performance of the composite N-C3N4/Cu/Cu2O.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Materials Science, Multidisciplinary
Wenxin Tang, Wanyu Qian, Shuanglin Jia, Ke Li, Zhifang Zhou, Jinle Lan, Yuan-Hua Lin, Xiaoping Yang
Summary: BiCuSeO has high Seebeck coefficient, low lattice thermal conductivity, and excellent performance, making it a new oxide thermoelectric material with great application prospects. This review discusses and summarizes the preparation, properties, and thermoelectric properties of BiCuSeO, as well as the recent performance optimization methods at home and abroad. Additionally, future strategies for enhancing the thermoelectric properties and further research are proposed.
MATERIALS TODAY PHYSICS
(2023)
Article
Materials Science, Ceramics
Hong Zhao, Xinqi She, Guoji Cai, Yi Liu, Yong Tang, Bo Feng
Summary: ZnO based thermoelectric material is a promising material in the high temperature zone. Energy band regulation through doping and composition optimization can improve its thermoelectric conversion efficiency. By introducing tetravalent Si elements at Zn sites, the bandgap is effectively reduced and various thermoelectric parameters are synergistically optimized.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Physical
Teng Li, Yang Fu, Cong Dong, Dongshuang Li, Huaduo Gu, Yanghui Ye
Summary: The thermoelectric characteristics of a thermoelectric generator with cold-side micro heat pipe arrays are studied. The influence of bending angle and vertical height of micro heat pipe arrays on the cold-side of a thermoelectric generator is examined. It is found that the thermoelectric characteristics increase with increasing heat source temperature and show a reliable growth trend over time.
JOURNAL OF POWER SOURCES
(2023)
Article
Materials Science, Ceramics
Muhammad Tauseef Qureshi, Farman Ullah, Reda S. Abdel Hameed, M. Al Elimi, J. Humadi, A. M. Nassar, M. Badr, K. S. Abdel Halim, Murtaza Saleem
Summary: In this study, the properties of pure and Ag doped Cu2O materials were investigated using density functional theory and experimental methods. It was found that Ag doping significantly affected the thermoelectric properties and enhanced the optical parameters of Cu2O.
CERAMICS INTERNATIONAL
(2023)
Article
Materials Science, Multidisciplinary
Fereshte Ildarabadi, Rouhollah Farghadan
Summary: Researchers found that applying nonuniform strain in zigzag graphene nanoribbons can generate spin-thermoelectric effects, leading to a tunable spin-dependent band gap, pure spin current, and a giant spin Seebeck coefficient. This provides a practical pathway for improved design in spin-thermoelectric applications through strain engineering.
Article
Chemistry, Physical
Jiamei Ma, Wei Zhong, Langlang You, Yi Pei, Chunxin Lu, Zhiyin Xiao, Zhongquan Shen, Xiujuan Jiang, Nianlong Qian, Xiaoming Liu, Shuhua Zhang
Summary: In this study, three materials with different compositions were characterized using various analytical techniques, and their band structures were investigated. It was found that by forming heterojunctions and through coordination, the band structures of the materials can be tuned and the energy levels can be raised. These changes in electronic properties exhibit a synergistic effect in the selective oxidation reaction of benzyl alcohols.
APPLIED SURFACE SCIENCE
(2022)
Correction
Chemistry, Physical
Chen Luo, Yan Shao, Hua Yu, Hong-zhi Ma, Yu-hao Zhang, Long Gu, Bo Yin, Ming-bo Yang
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Stefano Borocci, Armando Camerlingo, Felice Grandinetti, Maria Rutigliano, Nico Sanna
Summary: The complexes of He, Ne, Ar, Kr, and Xe with B3N3H6 were investigated using MP2, CCSD(T), and SAPT ab initio methods. The complexes can be described as mono-, di-, and tri-coordinated to the N atoms, with stability following the order N-mono < N-di < N-tri. The interactions are dominated by dispersion and the binding energies are within the range of 1 or 2 kcal mol(-1). The results were compared with a recent DFT study on larger BN sheets complexes [Phys. Chem. Chem. Phys. 24 (2022) 2554-2566.].
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
V. Nagarajan, R. Bhuvaneswari, R. Chandiramouli
Summary: In this study, stable phosphoborane was used as a sensor to detect isobutane and n-propane in Liquefied Petroleum Gas (LPG). Phosphoborane demonstrated structural stability and semiconducting nature, and exhibited promising adsorption properties for the LPG molecules.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xiaoxi Xu, Zijiang Yang, Bayaer Buren, Maodu Chen
Summary: In this study, the time-dependent wave packet method was used to investigate the reaction channels and mechanisms of Ca+ + HD. The results show that the CaH+ + D reaction channel plays a primary role, which is consistent with experimental results. Complex forming and direct-abstraction reaction mechanisms exist in this reaction process.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Keshab Pandey, Hae Kyung Jeong
Summary: A free-standing silicon-carbon nanofiber composite film was synthesized and investigated for supercapacitor applications. It exhibited high specific capacitance, energy density, and power density. After 5000 cycles, the film showed excellent specific capacitance retention and Coulombic efficiency.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xinyu Zhang, Haosong Li, Xiaoyu Cao, Jing Gao, Yong Wei, Jianzhuo Zhu
Summary: The evaporation behavior of nanosized water aggregations on two-dimensional electroneutral solid surfaces with different surface polar unit densities was investigated. The results showed that the evaporation rate changes non-monotonically with the surface polar unit density, and the minimum evaporation rate is obtained when the surface has a modest surface polar unit ratio of 66.7%.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Yanyan Xu, Rui Dai, Xiaojie Wang, Zhijun Qiao, Haowei Wen, Dianbo Ruan, Yuzuo Wang
Summary: This article presents an innovative solvothermal sodium insertion method for synthesizing Triphylite-NaFePO4, which demonstrates optimal electrochemical performance in sodium-ion batteries.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Meiyi Jiang, Kun Yang, Yancheng Liu, Li Yao
Summary: The geometric structure and electronic properties of transition metal M (M = Cu, Fe, Mn)-TiO2 (101) surface adsorbed by NO2 and N2O were calculated by density functional theory (DFT) and DFT + U theory. The results showed that the adsorption of NO2 and N2O on Mn and Fe atoms is more stable, and a large number of active electrons are formed around these atoms, facilitating the catalytic reactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Sergey A. Vyrko, Yulia G. Polynskaya, Nikita A. Matsokin, Andrey M. Popov, Andrey A. Knizhnik, Nikolai A. Poklonski, Yurii E. Lozovik
Summary: In this study, carbon nanobracelets, which are cyclic molecules composed of alternating polycyclic regions and double carbon chains, were investigated using spin-polarized density functional theory. The results show that carbon nanobracelets with odd number of monomers exhibit distinct electronic energy levels, band gaps, and carbon chain deformation compared to those with even number of monomers.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Chanchan Wang, Quan Yang, Yanzhi Ding, Xiaoyong Lu, Dong Tian
Summary: It has been found that the introduction of buffer layers improves the electrical performance of solid oxide fuel cells (SSOFCs). In this study, varying ratios of Gd-doped CeO2 were used as buffer layers in YSZ-based SSOFCs. The results demonstrate that the performance of SSOFCs is enhanced when a buffer layer is added, with the highest performance achieved using Ce0.8Gd0.2O2-delta (GDC20) as the buffer layer. This suggests that the use of GDC series buffer layers is an attractive strategy to optimize performance loss due to electrolyte-electrode interactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Wang Li, Yi-Fan Zhang, Jia-Bin Huang, Chang-Yang Wang, Feng Zhang, Jiu-Zhong Yang, Long Zhao
Summary: The gas-phase reaction of propargyl with vinylacetylene was investigated using synchrotron photoionization and molecular-beam mass spectrometry methodologies. The formation mechanisms of the resulting cyclic structures were examined using quantum computations. Two previously unidentified isomers were detected and identified for the first time.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Avijit Pramanik, Sanchita Kundu, Olorunsola Praise Kolawole, Kaelin Gates, Paresh Chandra Ray
Summary: This study investigates the influence of aspect ratio and quantum confinement on the single-photon and two-photon absorption cross-section of perovskite CsPbI3 nanorods. Experimental data shows that CsPbI3 nanorods have an extremely high two-photon absorption cross-section, significantly surpassing organic chromophores and other CsPbBr3 nanocrystals. Moreover, adjusting the aspect ratio can significantly enhance the absorption ability. Additionally, the study also reveals a moderate quantum confinement effect on the single-photon and two-photon absorption cross-section of the nanorods.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Hyon-Tae Pak, Jin-A Choe, Kyong-Sik Ju, Yong -Son Rim
Summary: Drug-loaded cellulose diacetate (CDA) membranes were prepared using different compositions of mixed solvent. The microstructure and performance of the membranes were investigated, and a method to predict drug release properties was proposed. The results showed that the composition of the mixed solvent significantly affected the overall performance of CDA membranes, and the release rates of drugs were related to Δdelta and the intrinsic viscosity of CDA.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Gabriella E. Ravin, E. Curotto
Summary: We have developed a systematic approach to optimize the training set sizes for neural networks in fitting ab initio potential energy surfaces. Using this approach, we have constructed several spectroscopic quality potential energy surfaces for [Li(H2)n]+, n = 1 - 9. The ground state properties have been computed for all the systems and selected states.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Guohua Xu, Lei Xu, Feng Zhang, Chunling Yu, Yu Song
Summary: NiS1.03@Ni7S6/carbon composite was successfully prepared using corn stalk as a carbon source via a simple adsorption-sulphurization process. The composite exhibited a specific capacitance of 1554.6 F/g at 1 A/g as a supercapacitor electrode, with a capacitance retention rate of 80.4% after 5000 cycles. Furthermore, the NiS1.03@Ni7S6/carbon//AC asymmetric supercapacitor showed a high energy density of 41.2 Wh kg-1 at a power density of 750 W kg-1, and excellent cycling stability with 86.8% capacitance retention after 10,000 cycles.
CHEMICAL PHYSICS LETTERS
(2024)