Article
Energy & Fuels
Hanan Absike, Nora Baaalla, Rachida Lamouri, Hicham Labrim, Hamid Ez-zahraouy
Summary: This study investigates the electronic structure, optical, and electrical properties of double perovskite Cs2AgBiX6 (X = Br, Cl, and I) using density functional theory. The findings suggest that these compounds have narrow bandgap energies and are suitable for industrial photovoltaics.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Physics, Multidisciplinary
Ghazanfar Nazir, Q. Mahmood, M. Hassan, Murefah Mana AL-Anazy, Nessrin A. Kattan, N. Sfina, Mohammed A. Amin, Abeer Mera, H. H. Somaily
Summary: The optical, electronic, and thermoelectric characteristics of Rb2AgAsX6 (X = Cl, Br, I) have been comprehensively studied using a first principle approach. The thermodynamic stability and structural stability were ensured through the calculation of the formation energy and tolerance factor. It was found that the band gaps of the double perovskites can be tuned by replacing the anions (Cl to Br, and I). Their absorption regions range from infrared to visible, making them suitable for various optoelectronic applications. Additionally, the thermoelectric performance was evaluated based on power factor and figure of merit, revealing the potential of these materials for thermoelectric applications.
Article
Chemistry, Multidisciplinary
Kang Wang, Simin Ma, Xiaoyang Xue, Tong Li, Simiao Sha, Xiaodong Ren, Jingru Zhang, Hui Lu, Jinfu Ma, Shengwei Guo, Yucheng Liu, Jiangshan Feng, Adel Najar, Shengzhong (Frank) Liu
Summary: The all-inorganic perovskite based on triple halide-mixed CsPb(I2.85Br0.149Cl0.001) framework has achieved high black phase stability and photovoltaic efficiency. However, there are still issues such as ion migration, trap-induced nonradiative recombination, and black phase instability. A passivation strategy has been developed to suppress ion migration and reduce traps, resulting in improved power conversion efficiency.
Article
Energy & Fuels
Huyen T. Pham, Klaus J. Weber, The Duong, Jennifer Wong-Leung
Summary: This study investigates the key role of Cs cation and X halide anions (X = I, Br, Cl) on the microstructure, crystal structure, structural defects, optoelectronic properties, and photovoltaic parameters of FAPbI(3)-based perovskite solar cells. It is found that the CsCl-FAPbI(3) perovskite film exhibits the highest photoluminescence (PL) intensity, longest PL lifetime, and highest power conversion efficiency compared to the CsI-FAPbI(3) and CsBr-FAPbI(3) perovskite films. The morphology and crystallography of {111}(c) nanotwins and stacking faults are analyzed, and the microstructure, crystallography, and atomic structure model of intersecting twin boundaries are presented. Furthermore, the degradation pathways and mechanism of FAPbI(3)-based perovskites under ambient conditions are systematically studied, revealing the formation of hexagonal PbI2 phase in all CsX-FAPbI(3) perovskite samples after aging.
Article
Physics, Multidisciplinary
Hind Albalawi, Ghazanfar Nazir, Muhammad Younas, Samah Al-Qaisi, M. G. B. Ashiq, Jameelah Alzahrani, H. H. Somaily, Manal Morsi, T. Ghrib
Summary: In this study, the electronic, optical, mechanical, and transport properties of Cs2TeX6 (X = Cl, Br, I) double perovskites were investigated using density functional theory (DFT). The results showed that these materials have potential applications in solar cells and remote sensing devices due to their tunable optical properties and favorable transport characteristics. The findings from this study provide valuable insights for the development of solar cell and renewable energy technologies.
Article
Chemistry, Physical
Wenwu Shi, Nina Ge, Xinzhong Wang, Zhiguo Wang
Summary: Efficient thermoelectric materials require low thermal conductivity and high power factor. ZrNX monolayers exhibit excellent thermoelectric performance with low lattice thermal conductivity and high power factor, showing potential for heat-electricity conversion. By optimizing hole and electron concentrations, the figure of merit of ZrNX monolayers can reach values between 0.49 and 3.15 at temperatures between 300 and 700 K, making them promising candidates for 2D thermoelectric materials.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Yunxiang Zhang, Shishi Xu, Zhichao Mu, Kailu Liu, Jikun Chen, Chenliang Zhou, Yifeng Yao, Xiao Chen, Lin Shi, Zhongjie Wang, Yun Sun, Wei Liu, Qinfang Zhang
Summary: Investigations on the potential of Bi-based materials as buffer layers for efficient CIGS solar cells reveal that BiOX materials possess 2D nanosheet structures and show promising performance. Among the BiOX materials, BiOBr exhibits the highest conversion efficiency due to its similar energy band distribution with CdS.
Article
Nanoscience & Nanotechnology
Li Zhang, Xinxin Li, Ye Tian, Bin Hao, Jiufang Han, Hong Chen, Bingsuo Zou, Chunhua Du
Summary: In this paper, a one-step deposition method is used to prepare single-crystal perovskite-based photodetectors with fast deposition on the electrode. By optimizing the precursor solution, microplatelets with a photoluminescence wavelength range from 418 to 600 nm are fabricated. The resulting photodetectors exhibit low dark current, high responsivity and detectivity, and ultrafast response time.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Nanoscience & Nanotechnology
Li Zhang, Xinxin Li, Ye Tian, Bin Hao, Jiufang Han, Hong Chen, Bingsuo Zou, Chunhua Du
Summary: In this study, a single-crystal perovskite-based photodetector was prepared by one-step deposition of microplatelets synthesized on the electrode. The precursor solution was carefully optimized to fabricate crystals with a detection wavelength range of 418 to 600 nm. The resulting photodetectors exhibited low dark current, high responsivity and detectivity, and an ultrafast response rate. These perovskite photodetectors with a simple fabrication process and tunable detection wavelength meet the demand for low-cost and high-performance photodetectors.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Physics, Multidisciplinary
Muhammad Younas, Q. Mahmood, Nessrin A. Kattan, Thamraa Alshahrani, Abeer Mera, Mohammed A. Amin, Gaber A. M. Mersal, H. H. Somaily
Summary: This study comprehensively addresses the electronic, optical, and thermoelectric characteristics of double perovskite materials Tl2PtX6 (X = Cl, Br, I). The research calculates the tolerance factor and formation energy to determine the structural and thermodynamic stability. The study reveals that the strong p-d hybridization between cations and anions can tune the band gaps, and replacing Cl with I ions can shift the absorption to the visible region. Additionally, the optical behavior and thermoelectric behavior of the materials are investigated.
Article
Chemistry, Multidisciplinary
Yanwen Wu, Guangbiao Xiang, Man Zhang, Dongmei Wei, Chen Cheng, Jiancai Leng, Hong Ma
Summary: In this study, the structural and photoelectric properties of Cs3Sb2X9 under high pressure were theoretically investigated using density functional theory. The results showed that the ideal bandgap for Cs3Sb2X9 can be achieved by applying high pressure, and the change in bandgap is caused by the shrinkage of the Sb-X long bond. Furthermore, Cs3Sb2Br9 and Cs3Sb2I9 exhibited metallicity at specific high pressures, and the absorption spectra showed a redshift.
Article
Chemistry, Physical
Hiroki Ubukata, Fumitaka Takeiri, Cedric Tassel, Shintaro Kobayashi, Shogo Kawaguchi, Takashi Saito, Takashi Kamiyama, Shunsuke Kobayashi, Genki Kobayashi, Hiroshi Kageyama
Summary: According to the Hume-Rothery rule, anions with a large difference in ionic radii cannot form solid solutions. However, this study demonstrates that Ba2H3X (X = CI, Br, or I) with a special structure can form trihalide solid solutions containing substantial amounts of each halogen. The analysis of synchrotron X-ray diffraction data reveals a significant deviation of the local structure from the average structural model for the solid solutions, which is mainly attributed to the different size variances of X- anions. Furthermore, the study shows that size-flexible H- anions play an important role in the formation of trihalide solid solutions.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Muhammad Akram, Harrison LaBollita, Dibyendu Dey, Jesse Kapeghian, Onur Erten, Antia S. Botana
Summary: We present a comprehensive theory of magnetic phases in twisted bilayer chromium trihalides, showing that a wide range of noncollinear magnetic phases can be stabilized as a function of twist angle and interactions. Our results provide an interpretation for recent observations of noncollinear magnetic phases in twisted bilayer CrI3 and demonstrate the possibility of engineering further nontrivial magnetic ground states in twisted bilayer chromium trihalides.
Article
Physics, Condensed Matter
A. Harbi, S. Bouhmaidi, R. K. Pingak, Larbi Setti, M. Moutaabbid
Summary: This study investigates the optoelectronic and thermoelectric properties of novel lead-free halide perovskites of the form CsRbPtX6 using DFT. It reveals their structural, chemical, and mechanical stability, as well as their outstanding optoelectronic and thermoelectric properties. These materials are predicted to have high potential for various applications.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Materials Science, Multidisciplinary
Taharh Zelai, Syed Awais Rouf, Q. Mahmood, S. Bouzgarrou, Mohammed A. Amin, A. Aljameel, T. Ghrib, H. H. Hegazy, Abeer Mera
Summary: This article discusses the optoelectronic and transport characteristics of new double perovskites Ca2PdCl6, Ca2PdBr6, and Ca2PdI6, and their potential for solar cells and thermoelectric applications. By analyzing the structural stability, band gaps, optical properties, and thermoelectric characteristics, the promising future applications of these materials are confirmed.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Chemistry, Physical
Sen Li, Chao Zhang, Fanfei Min, Xing Dai, Chengling Pan, Wei Cheng
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
(2017)
Article
Chemistry, Multidisciplinary
Linfeng Xu, Sen Li, Shinobu Uemura, Takafumi Kusunose, Xingang Kong, Qi Feng
Article
Chemistry, Multidisciplinary
Linfeng Xu, Hongjun Fang, Sen Li, Jinbo Zhu, Chengling Pan, Yusong Pan, Qi Feng
Article
Chemistry, Multidisciplinary
Linfeng Xu, Chengling Pan, Sen Li, Chengjie Yin, Jinbo Zhu, Yusong Pan, Qi Feng
Summary: Three-dimensional mesoporous lepidocrocite-type layered sodium titanate (LST) was constructed through electrostatic interaction at room temperature, exhibiting superior adsorption properties for cationic dyes. An ion-exchange mechanism was proposed for cationic dye adsorption on LST, suggesting stoichiometric exchange between Na+ ions in the LST interlayer and dye molecules in solution.
Article
Chemistry, Multidisciplinary
Sen Li, Linfeng Xu, Xingang Kong, Takafumi Kusunose, Noriaki Tsurumach, Qi Feng
Summary: BiSCl single-crystalline nanofibers were synthesized via a solvothermal approach, exhibiting strong light absorption in the UV to visible light wavelength range. The direct n-type semiconductor nature of BiSCl suggests its potential as a light absorber for solar cells.
Article
Engineering, Chemical
Fangyi Yao, Wenxiong Zhang, Dengwei Hu, Sen Li, Xingang Kong, Shinobu Uemura, Takafumi Kusunose, Qi Feng
Summary: Nanofiltration membranes have significant applications in addressing global water scarcity issues. An ultra-hydrophilic inorganic nanosheet membrane, fabricated using layered titanate H1.07Ti1.73O4.nH2O nanosheets, demonstrates high selectivity for desalination and small molecule separations, while maintaining ultrafast water transport at low operating pressure. The self-adjusting membrane thickness process (SAMTP) developed in this study can be applied to fabricate other metal oxide nanosheet membranes, offering a new avenue for low energy consumption separation processes.
Article
Nanoscience & Nanotechnology
Fangyi Yao, Wenxiong Zhang, Dengwei Hu, Sen Li, Xingang Kong, Shinobu Uemura, Takafumi Kusunose, Qi Feng
Summary: Nanoporous layered titanate (HTO) nanosheet membranes with controlled nanopores have been synthesized using solvothermal synthesis and a self-adjusting membrane thickness process (SAMTP). These membranes exhibit excellent water permeance and separation performance, making them promising candidates for water treatment and molecule separation.
ADVANCED COMPOSITES AND HYBRID MATERIALS
(2023)
Article
Chemistry, Physical
Yingkai Hua, Zhiyuan Huang, Sen Li, Siyuan Chen, Xin He, Haodong Liu, Jun Feng
Summary: Ni-rich layered transition metal oxides have the potential to be cathodes for Li-ion batteries due to their cost-effectiveness and high capacity. However, the capacity fading caused by inherent lattice structure variations has hindered their practical applications. By using in situ neutron powder diffraction, this study investigated the structural evolution of LiNi0.5Co0.2Mn0.3O2 during synthesis, revealing the correlation between annealing time, structural instability, and battery performance. These findings provide useful insights for synthesizing high-performance transition metal layered oxide materials.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Sen Li, Zhiyuan Huang, Yafei Ding, Chao Zhang, Jingyan Yu, Qi Feng, Jun Feng
Summary: In this study, single-crystalline BiSBr was synthesized and characterized for its photoelectric properties and photovoltaic performances. The results showed that BiSBr is a p-type semiconductor with high electrical conductivity and light absorption capability. By fabricating BiSBr microsheet array films, the photovoltaic efficiency was significantly enhanced.
Article
Chemistry, Multidisciplinary
Xing Wang, Wei Wei, Jiaqiao Hu, Sen Li, Yong Wang, Lixiong Yin, Xingang Kong, Qi Feng
Summary: The H2O2-intercalated layered titanate H1.07Ti1.73O4 (H2O2-HTO) has significantly enhanced ion-exchange capacity and improved reaction rate with various divalent cations, due to increased negative charge density and exchangeable H+ ions through the formation of Ti(iv)-O-O-H bond.
CHEMICAL COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Sen Li, Linfeng Xu, Xingang Kong, Takafumi Kusunose, Noriaki Tsurumachi, Qi Feng
JOURNAL OF MATERIALS CHEMISTRY C
(2020)
Article
Chemistry, Multidisciplinary
Wenxiong Zhang, Sen Li, Hao Ma, Dengwei Hu, Xingang Kong, Shinobu Uemur, Takafumi Kusunose, Qi Feng
