Article
Chemistry, Multidisciplinary
Serhii Polishchuk, Michele Puppin, Alberto Crepaldi, Gianmarco Gatti, Dmitry N. Dirin, Olga Nazarenko, Nicola Colonna, Nicola Marzari, Maksym Kovalenko, Marco Grioni, Majed Chergui
Summary: Describing the nanoscale charge carrier transport at surfaces and interfaces is crucial for designing high-performance optoelectronic devices. In this study, time- and angle-resolved photoelectron spectroscopy was used to investigate the ultrafast decay of carrier population associated with surface-to-bulk transport. The study achieved sub-nanometer spatial resolution normal to the surface and femtosecond time scale tracking.
Article
Physics, Multidisciplinary
Abdulmutta Thatribud, Areefen Rassamesard
Summary: This study investigated the effects of different electronegativity of halide anions on the electronic and optical properties of lead halide perovskite using density functional theory. The results showed that the lattice parameters and energy gaps increase as the size of the halide atoms increases, and the absorption spectra shift to higher energy as the electronegativity of the halides increases.
Article
Physics, Multidisciplinary
Sajid Khan, Abdelaziz Gassoumi, Altaf Ur Rahman, Farhat Ullah, Rashid Ahmad, Nasir Mehmood, M. Abdul, Abdul Hakim Shah
Summary: This study investigates the structural, electronic, optical, and thermoelectric properties of perovskite TlXF3 (X: Zn, Sr) crystal structure using first-principles calculations. The compounds were found to be structurally and thermodynamically stable in the cubic phase. The electronic bandgaps of TlSrF3 and TlZnF3 were determined using different methods. The results show that TlXF3 has promising potential for electronic, thermoelectric, and optoelectronic devices.
Article
Chemistry, Physical
Tapas Das, Naba Kumar Rana, Parul Garg, Ashok Bera, Asim Guchhait
Summary: This study successfully replaced the high-temperature deposition layer in perovskite solar cells with a low-temperature deposited material, leading to the fabrication of efficient and stable all-inorganic solar cells. The new material exhibited better stability and a cheap encapsulation process was used to further improve stability.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Mohammed Benali Kanoun, Souraya Goumri-Said
Summary: Lead halide perovskite has shown great potential in electronic devices like solar cells. Doping CsPbBr3 perovskite with Mn results in significant changes in electronic structures, reducing bandgaps and increasing carrier effective masses.
MATERIALS TODAY ENERGY
(2021)
Article
Chemistry, Physical
Yize Stephanie Li, Shuang Liang, Tuong Trieu, Rahayana Ruth Bautista, Zhiqun Lin
Summary: Perovskite nanowires have received significant attention due to their potential in optoelectronic applications. In this study, CsPbBr3 nanowires with well-defined morphology were synthesized and their electronic heterogeneity and inhomogeneity were probed using contactless dielectric force microscopy. The results revealed ambipolar, n-type, and p-type responses, as well as longitudinal and transverse electronic inhomogeneities in the nanowires. This work demonstrates the power of DFM technique in studying the electronic properties of perovskite nanowires.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Muhammad Saeed, Izaz Ul Haq, Awais Siddique Saleemi, Shafiq Ur Rehman, Bakhtiar Ul Haq, Aijaz Rasool Chaudhry, Imad Khan
Summary: Cesium halide double-perovskites show promising potential for optoelectronic devices, with favorable structural and electronic properties. Further research is being conducted to explore their thermoelectric and mechanical behaviors.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Review
Chemistry, Physical
Jin Ho Park, Young Seon Yoon, Jin Young Kim
Summary: All-inorganic perovskite solar cells have shown promise due to their superior stability compared to organic-inorganic perovskite solar cells. However, there are challenges in their fabrication process, such as low solubility of perovskite precursors and occurrence of secondary phases. This review focuses on CsPbBr3 perovskite solar cells and explores various processes and strategies to address these challenges. A summary of the different processes and an outlook for highly efficient all-inorganic perovskite solar cells are provided.
Article
Materials Science, Multidisciplinary
Yingke Ren, Delong Li, Jing Chen, Xinge Guo, Chao He, Zhaoqian Li, Xingtao An
Summary: In this study, an all-inorganic CsPbBr3 perovskite is used as the top cell to address the instability issue of organic-inorganic hybrid perovskites under UV irradiation. The prepared CsPbBr3 layer acts as a UV filter, effectively avoiding the UV light instability of the bottom cell.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Physics, Condensed Matter
E. Maskar, A. Fakhim Lamrani, M. Belaiche, A. Es-Smairi, D. P. Rai, Nejma Fazouan
Summary: The study demonstrates that SnO-ML has high optical transmission, making it a potential material for optoelectronics and solar cell applications, as well as showing improvements in thermoelectric properties.
SUPERLATTICES AND MICROSTRUCTURES
(2021)
Article
Nanoscience & Nanotechnology
Ye Liu, Guoxue Yin, Wei An, Yunzhe Ke, Ruge Quhe
Summary: All-inorganic halide perovskites have excellent properties and thermal stability. This paper investigates the surface contacts of two types of CsPbBr3 perovskite to different metals and finds that Ti3C2 is a suitable material for forming ohmic contacts with the CsBr-terminated surface. The flexibility of the contacts on the PbBr2-terminated surface is also highlighted.
Article
Chemistry, Inorganic & Nuclear
Lev-Ivan Bulyk, Taras Demkiv, Oleh Antonyak, Yaroslav M. Chornodolskyy, Roman Gamernyk, Andrzej Suchocki, Anatolii Voloshinovskii
Summary: This study investigates the effect of hydrostatic pressure on the luminescence properties of CsPbBr3 single crystals at 12 K. The intensity and energy position of free excitons and Rashba excitons change with increasing pressure.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
Daniel Commandeur, Thomas Draper, Zainab T. Y. Alabdulla, Rong Qian, Qiao Chen
Summary: The study found that CsPbBr3 solar cells can actually increase in efficiency over time under certain conditions, rather than degrading. By adjusting storage conditions, it was discovered that the type of solvent and atmosphere environment significantly impact the performance of the cells, providing guidelines for improving the long-term efficiency of perovskite solar cells.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Crystallography
Debidatta Behera, Mumtaz Manzoor, Ramesh Sharma, Mostafa M. M. Salah, Ivan Stich, Sanat Kumar Mukherjee
Summary: In this work, the properties of cubic phase SnTiO3 were investigated using first-principles calculations. Various potentials were employed to compute structural, elastic, electronic, thermodynamic, optical, and thermoelectric properties. The band structure calculated using the HSE approach revealed an indirect bandgap of 1.88 eV. The optical properties were evaluated through absorption, dispersion, and loss function. The thermoelectric properties were explored using the BoltzTrap code with temperature and chemical potential, and the thermodynamic quantities were calculated under high pressure and temperature conditions.
Article
Optics
Caixia Xu, Yanwei He, Zhengguo Xiao, Long Xu
Summary: This study fabricated periodic rectangular arrays on quartz substrates using the femtosecond laser ablation technique, and grew inorganic cesium lead bromide thin films on them using the spin coating method. The enhanced photoluminescence emission and increased light absorption due to the engineered structures were investigated, and high-performance amplified spontaneous emission was achieved. This work is important for the development of optoelectrical devices such as light-emitting diodes, photodetectors, solar cells, and lasers.
Article
Materials Science, Multidisciplinary
Meshal Alzaid, Rakan Alanazi, Ibrahim Hotan Alsohaimi, W. S. Mohamed, N. M. A. Hadia, Mohammed Ezzeldien, Muhammad Zahir Iqbal
Summary: In this study, bimetallic sulfide was synthesized via hydrothermal technique and its performance was optimized. Ni0.50Mn0.50S showed the best performance for supercapattery application. A hybrid device of NiMnS//Activated carbon delivered a decent energy density of 45.7 Wh/kg and power density of 1700 W/kg, with exceptional cycling stability.
DIAMOND AND RELATED MATERIALS
(2023)
Article
Physics, Multidisciplinary
Abdelazim M. Mebed, Muhammad Mushtaq, Iltaf Muhammad, Ikram Un Nabi Lone, Samah AL-Qaisi, Norah Algethami, E. F. EL-Shamy, Amel Laref, N. M. AL-Hosiny
Summary: In this study, the geometric features, electronic structure, and magnetism of two new double perovskites were investigated. The results showed stable magnetic and half-metallic properties for these materials, with potential applications in spintronics.
Article
Materials Science, Multidisciplinary
Mohamed Khuili, Hajar Saadi, Nejma Fazouan, Yassine Sadiki, Samah Al-Qaisi, El Houssine Atmani, El Hassan Abba
Summary: In this study, the thermoelectric properties of the most stable phases of ZnO were calculated as a function of temperature and doping using first-principle calculations combined with the semi-classical equation of Boltzmann. The nature of electrical conductivity was determined, and the Seebeck coefficient and figure of merit were calculated for three structures a s a function of charge carrier concentration. The rocksalt phase exhibited the highest figure of merit at high doping concentration.
INTERNATIONAL JOURNAL OF COMPUTATIONAL MATERIALS SCIENCE AND ENGINEERING
(2024)
Article
Engineering, Electrical & Electronic
Jawaria Fatima, M. B. Tahir, M. Awais Rehman, Mohammed A. Assiri, Muhammad Imran, Meshal Alzaid, Hussein Alrobei
Summary: In this study, the structural, electronic, optical, and mechanical properties of Ti3X2 (X = C, N, P, S) MXene materials were calculated using the CASTEP simulation package. The results show that the compounds are stable and can be synthesized experimentally. The materials exhibit metallic behavior in terms of electronic and optical properties, and Ti3C2 is ductile while Ti3N2, Ti3P2, and Ti3S2 are brittle in terms of mechanical properties.
OPTICAL AND QUANTUM ELECTRONICS
(2023)
Article
Optics
Sania Ayub, Adnan Khalil, Rahila Shaheen, Soumaya Gouadria, Muhammad Bilal Tahir, Zaka Ullah, Abdul Hannan, El Sayed Yousef, Meshal Alzaid
Summary: In this work, the structural, elastic, electronic, optical, and magnetic properties of Hg2WO4 are investigated using CASTEP simulation tool. The calculations reveal that Hg2WO4 has a stable C-centered monoclinic structure with space group C2/c. It is found to be a ductile material and has an indirect band gap of 2.14 eV. The optical study shows that it has good photosensitivity in the visible light region and the spin-polarized treatment confirms its antiferromagnetic nature.
Article
Physics, Multidisciplinary
Debidatta Behera, Batouche Mohammed, Seddik Taieb, Boudjelal Mokhtar, Samah Al-Qaisi, Sanat Kumar Mukherjee
Summary: In this study, the FP-LAPW technique executed in WIEN2k was used to analyze the structural, mechanical, optoelectronics, and transport characteristics of the double perovskite Rb2InSbX6 (X = Cl, Br). The investigated compounds were found to be stable based on their formation energy, tolerance factor, elastic properties, and phonon dispersion. Electronic characteristics were evaluated using PBE-GGA and mBJ potentials, with anticipated band gaps of 0.97 eV and 0.54 eV for Rb2InSbX6 (X = Cl, Br) respectively. The compounds showed ductile mechanical properties and exhibited positive values of Seebeck's coefficient, indicating their applicability in thermoelectric devices. The studied compounds demonstrated strong absorption and high power factor, making them suitable for thermoelectric and photovoltaic applications.
EUROPEAN PHYSICAL JOURNAL PLUS
(2023)
Article
Physics, Applied
S. G. Chigarev, L. A. Fomin, D. P. Rai, E. A. Vilkov, O. A. Byshevsky-Konopko, D. L. Zagorsky, I. M. Doludenko, A. I. Panas
Summary: This article discusses an experimental approach to studying the distribution of radiation energy in the THz range, generated by an electron flow passing through a magnetic junction between thermal and dynamic systems. The experimental results from a spin-injection emitter using a heterogeneous magnetic nanowire array confirmed the assumption of competition between thermal and dynamic radiation processes.
Article
Chemistry, Multidisciplinary
Yumnam Thakur Singh, Bhanu Chettri, Lalrin Kima, Zosiamliana Renthlei, Prasanta Kumar Patra, Mattipally Prasad, Juluru Sivakumar, Amel Laref, Madhav Prasad Ghimire, Dibya Prakash Rai
Summary: In this study, we systematically investigated the electronic, optical, and mechanical properties of a hydrogenated (6,0) single-walled carbon nanotube under applied uniaxial stress. The band gap of the nanotube significantly varied with stress, and a transition from indirect to direct band gap was observed under compressive stress. The strained nanotube also exhibited strong optical absorption in the infrared region and became a promising candidate for optoelectronic devices. Molecular dynamics simulation was used to study the elastic properties of the nanotube under stress.
Article
Chemistry, Multidisciplinary
Zosiamliana Renthlei, Mattipally Prasad, Juluru Sivakumar, Lalhriat Zuala, Lalrinthara Pachuau, Yengkhom Rangeela Devi, Ningthoujam Surajkumar Singh, Gulmurza Abdurakhmanov, Amel Laref, Dibya Prakash Rai
Summary: This paper investigates the changes in structural, electronic, and thermodynamic properties of glasslike Na2GeO3 under compressive isotropic pressure. The results reveal stable structural and electronic phase transitions at around 20 GPa, with an enhancement in optical properties due to the transition in electronic band gap. The thermodynamic properties analysis demonstrates that Na2GeO3 follows certain low and high temperature specific heat laws. The computation of the piezoelectric tensor suggests that Na2GeO3 exhibits significant electric responses under applied pressure, making it a potential material for future energy-efficient devices.
Article
Physics, Condensed Matter
M. Caid, D. Rached, S. Al-Qaisi, Y. Rached, H. Rached
Summary: Lead-free halide double perovskite Cs2CdZnCl6 is a mechanically stable compound with a direct semiconductor band gap of 1.43 eV. It exhibits significant photoresponse in the ultraviolet light region and shows potential for optoelectronic applications. The findings suggest that Cs2CdZnCl6 is a promising material in terms of its optoelectronic properties.
SOLID STATE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Tuan V. Vu, Nguyen P. Q. Anh, Huynh V. Phuc, A. I. Kartamyshev, Nguyen N. Hieu
Summary: In this paper, a series of two-dimensional asymmetric Janus γ-Sn2OX (X = S, Se, Te) monolayers are proposed and the electronic structure, piezoelectricity, and mobility of carriers are systematically calculated using the first-principles method. It is predicted that γ-Sn2OS and γ-Sn2OSe monolayers are structurally stable, while Janus γ-Sn2OTe monolayer is found to be unstable. Both γ-Sn2OS and γ-Sn2OSe monolayers are semiconductors with indirect bandgaps. Moreover, these monolayers exhibit piezoelectric properties and highly directionally anisotropic carrier mobility, making them suitable for nanoelectronic devices.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Dat D. Vo, Tuan V. Vu, A. A. Lavrentyev, O. Y. Khyzhun, A. I. Kartamyshev, Hien D. D. Tong, Nguyen N. Hieu
Summary: In this paper, we propose a new ZrTeS4 single layer and investigate its properties using first-principles calculations. The ZrTeS4 single layer has a stable anisotropic lattice in the equilibrium state. It has a direct band gap of approximately 1.89 eV. Like other narrow-band-gap 2D materials, ZrTeS4 is ductile and has a close Poisson's ratio to graphene. It also exhibits good birefringence and transparency in the infrared region, making it a promising material for non-linear optical applications.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Physics, Multidisciplinary
I Ouadha, A. Azzouz-Rached, H. Rached, A. Bentouaf, D. Rached, S. Al-Qaisi
Summary: MAX-phase compounds have attracted increased attention for their unique combination of metallic and ceramic properties, making them suitable for various industrial applications. This study focuses on a new quaternary ferromagnetic MAX-phase compound Mn2VSnC2, and demonstrates its mechanical and thermodynamic stability, as well as its potential applications in harsh environments.
PRAMANA-JOURNAL OF PHYSICS
(2023)
Article
Chemistry, Physical
L. L. D. Thi, Thi H. Ho, Tuan V. Vu, Dang L. T. Nguyen, Minh Xuan Tran, Sonny H. Rhim, C. -D. Nguyen
Summary: In this study, an advanced nanostructured material based on CuO/Cu2S heteronanorods incorporated with P atoms was successfully synthesized on a copper substrate. The as-synthesized material exhibited high catalytic behavior and excellent electrical conductivity, making it a highly efficient electrocatalyst for glucose oxidation reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Hind Albalawi, Syed Awais Rouf, Taharh Zelai, Nessrin A. Kattan, S. Bouzgarrou, Q. Mahmood, Samah Al-Qaisi, El Sayed Yousef
Summary: This article comprehensively elaborates on the optoelectronic, thermoelectric, and thermodynamic characteristics of K2CuBiX6 (X = Cl, Br, I) double perovskite materials. The materials exhibit good mechanical stability and ductility, and their thermodynamic parameters indicate their existence. Furthermore, the double perovskite materials are of significant importance for optoelectronic applications, featuring broad absorption bands and minimal dispersion.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2023)
