Article
Physics, Condensed Matter
Adil Marjaoui, Mohamed Ait Tamerd, Mohamed Zanouni, Mustapha Diani
Summary: First-principles calculations were used to investigate the biaxial strain effects on the electronic structure and optical properties of As2C3 and AsMC3 Janus monolayers. It was found that biaxial strain improved the optical properties of these materials, suggesting their potential for photovoltaic and optoelectronic applications.
PHYSICA B-CONDENSED MATTER
(2022)
Article
Engineering, Electrical & Electronic
Samah Al-Qaisi, Muhammad Mushtaq, Sultan Alomairy, Tuan V. Vu, Habib Rached, Bakhtiar Ul Haq, Q. Mahmood, M. S. Al-Buriahi
Summary: Investigations into stable lead-free double perovskites have revealed that Na2CuMCl6 (M = Bi, Sb) possess excellent optoelectronic performance and stability, indicating high potential for optoelectronic applications. The materials exhibit a small bandgap semiconductor behavior with a figure of merit (ZT) near unity, suggesting effectiveness in thermoelectric technology.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2022)
Article
Physics, Multidisciplinary
M. Aslam Khan, Shanawer Niaz, N. A. Noor, Sohail Mumtaz, Asif Mahmood
Summary: Due to their flexible optoelectronic properties, non-toxic double-perovskite halides have attracted a lot of attention in recent research. In this study, we used density functional theory to analyze the optical, electronic, and thermoelectric characteristics of copper-based double-perovskite halides, Rb2CuMCl6 (M = Sb, Bi). Our findings showed that replacing the cations from Sb to Bi resulted in adjustments of the bandgap from infrared to visible energy. The Rb2CuSbCl6 compound exhibited higher Seebeck coefficient, indicating its suitability for thermoelectric applications compared to Rb2CuBiCl6. Overall, this computational thermoelectric and optical study suggests that Rb2CuMCl6 (M = Sb, Bi) is suitable for sun-absorption devices and energy conversion.
Article
Materials Science, Ceramics
Youngho Kang
Summary: Using density functional theory calculations, we propose antiperovskite nitrides Sr3MN and Ba3MN as potential Pb-free PV absorbers for thin-film solar cells. These compounds have suitable direct bandgaps and high absorption coefficients for PV applications. Analysis of efficiency and carrier diffusion paths supports their viability as high-performance solar cell materials.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Engineering, Electrical & Electronic
Svetlana Sorokina, Fedor Yu Soldatenkov, Natalia S. Potapovich, Maxim Z. Shvarts, Vladimir P. Khvostikov
Summary: This study focuses on the stability and reliability of contact systems in GaSb photovoltaic converters. It is found that contacts with a conducting Ag layer, such as Ti-Pt-Ag, Ti-Pt-Ag-Au, and Cr-Au-Ag-Au, outperform those with a conducting Au layer, such as Ti-Pt-Au and Cr-Au, under thermally induced degradation conditions. In addition, silver-containing metallization, specifically Ti-Pt-Ag and Ti-Pt-Ag-Au, show better temperature stability compared to Cr-Au-Ag-Au metallization.
IEEE ELECTRON DEVICE LETTERS
(2022)
Article
Physics, Multidisciplinary
Shiv Bahadur Patel, Anshuman Srivastava, Ramesh Sharma, Jisha Annie Abraham, Vipul Srivastava
Summary: In this study, the structural, mechanical, electronic, thermodynamic, and thermoelectric properties of PbMO3 (M = Sb, Bi) compounds were investigated using density functional theory. The results showed that these compounds are stable in the cubic phase and exhibit metallic behavior. Additionally, the thermal parameters and transport characteristics are influenced by temperature.
EUROPEAN PHYSICAL JOURNAL PLUS
(2022)
Article
Materials Science, Multidisciplinary
Yang Jin, Dongyang Wang, Yingcai Zhu, Lizhong Su, Tao Hong, Ziyuan Wang, Zhen-Hua Ge, Yuting Qiu, Li-Dong Zhao
Summary: High thermoelectric performance is achieved in GeTe-based thermoelectric materials by single doping trivalent dopant M (M=In, Sb, Bi), resulting in a conversion efficiency of -10.3% and power density of -0.6 W cm-2. Doping with Bi decreases deformation potential and optimizes the power factor, leading to the highest ZT value of -1.9. In-doped GeTe exhibits low lattice thermal conductivity at ambient temperature, while Bi-doped GeTe significantly reduces lattice thermal conductivity at high temperature, resulting in the best performance among the single-doped GeTe-based thermoelectric materials.
Article
Chemistry, Physical
Chisato Nishikawa, Ryosuke Nishikubo, Fumitaka Ishiwari, Akinori Saeki
Summary: This paper reports the development of solution-processed solar cells composed of less toxic earth-abundant elements. By synthesizing metal (M)-(Bi/Sb)-I photoactive materials, potential candidates with superior performance composed of ternary, quaternary, and quinary elements were obtained. Among them, the Ag-Cs-Bi-Sb-I alloy exhibited a higher power conversion efficiency.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Abhijeet J. Kale, Rajneesh Chaurasiya, Ambesh Dixit
Summary: This article introduces the research progress and characteristics of perovskites and their alternative, halide double perovskites. The study found that halide double perovskites have a wide range of band gaps and have the potential to be used in solar cells and thermoelectric applications.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Optics
M. C. Bodur, S. Duman, I. Orak, S. Saritas, O. Baris
Summary: Carmine films were deposited on glass slides and n-Si substrates, and their properties were analyzed. 24 Au/Carmine/n-Si/Ag dots were fabricated and tested for their current-voltage characteristics. The dots showed rectifying behavior and varying parameters. One dot, D18, exhibited good photodiode behavior with high fill factor and efficiency.
OPTICS AND LASER TECHNOLOGY
(2023)
Article
Chemistry, Physical
Sonu Prasad Keshri, Sayan Paul, Arun K. Maurya, Tahir Hossain Sardar, Swapan K. Pati
Summary: p-Type NbFeSb-based half-Heusler compounds have good TE properties, but high & kappa;(l) limits their performance. We studied the effects of isovalent doping on thermal conductivity and found that Bi substitution at the Sb site in NbFeSb can significantly reduce & kappa;(l) without the need for nanostructuring/doping. This substitution also maintains high band degeneracy at the band edges. The deformation potential (DP) method was used as a convenient alternative to study the system.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Physics, Condensed Matter
Adil Marjaoui, Mohamed Ait Tamerd, Achraf El Kasmi, Mustapha Diani, Mohamed Zanouni
Summary: Janus monolayers, including AsBiC3 and AsSbC3, exhibit promising optical absorption properties for photovoltaic and opto-electronic applications, with bandgaps and electronic structures determined through first-principles calculations. Phonon dispersion calculations confirm their dynamical stability, making them potential candidates for future research in this field.
SOLID STATE COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Su-Hwan Go, Dae-Su Kim, Jae-Min Eum, Ho-Sung Shin, Seok-June Chae, Sun-Woo Kim, Eun-Ji Kim, Jong-Un Woo, Sahn Nahm
Summary: Fe2O3-containing 0.96(K0.5Na0.5)(Nb0.93Sb0.07)-(0.04-x)CaZrO3-x(Bi, Ag)ZrO3 piezoceramics fabricated at 1090 degrees C in the range of 0.0 <= x <= 0.04 exhibit an ideal R-O-T multi-structure and nanodomains, leading to an extremely high piezoelectric constant of 680 +/- 10 pC/N.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Nanoscience & Nanotechnology
Xiang Li, Shuhong Xu, Fan Liu, Junfeng Qu, Haibao Shao, Zhuyuan Wang, Yiping Cui, Dayan Ban, Chunlei Wang
Summary: The Bi/Sb codoped Cs2Ag0.1Na0.9InCl6 double perovskite material emits blue and yellow lights under the 320 and 360 nm UV lamp, respectively. It also exhibits a high PLQY up to 41% and excellent stability against both air and high temperature, making it a promising anti-counterfeiting material.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Wei Shangguan, Cuixia Yan, Wenqing Li, Chen Long, Liming Liu, Chenchen Qi, Qiuyang Li, Yan Zhou, Yurou Guan, Lei Gao, Jinming Cai
Summary: A new class of two-dimensional semiconductor materials with a wide band gap, excellent stability, and high mobility has been discovered. These materials have great potential for applications in optics and electronic devices.
Article
Physics, Applied
Yong He, Min Zhang, Jun-Jie Shi, Yao-Hui Zhu, Yu-Lang Cen, Meng Wu, Wen-Hui Guo, Yi-Min Ding
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2019)
Article
Chemistry, Physical
Yong He, Yao-hui Zhu, Min Zhang, Juan Du, Wen-hui Guo, Shi-ming Liu, Chong Tian, Hong-xia Zhong, Xinqiang Wang, Jun-jie Shi
Summary: Research on the electronic and photocatalytic properties of 2D InSe/MoSi2N4 heterostructure using density functional theory shows a type-II band alignment with a favorable direct bandgap and high electron mobility, making it a potential photocatalyst for overall water splitting.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Yuqing Zhang, Zehao Zhang, Wenjin Yu, Yong He, Zhijian Chen, Lixin Xiao, Jun-jie Shi, Xuan Guo, Shufeng Wang, Bo Qu
Summary: A novel lead-free double perovskite quantum dots were successfully fabricated for white light-emitting diodes with excellent optoelectronic performance and stability. The device exhibits good luminous properties and stability, making it suitable for future lighting applications.
Article
Nanoscience & Nanotechnology
Wen-hui Guo, Hong-xia Zhong, Min Zhang, Juan Du, Shi-ming Liu, Yong He, Yao-hui Zhu, Xinqiang Wang, Jun-jie Shi
Summary: Graphene, with its ultrahigh carrier mobility, has great potential in nanoelectronics. However, it lacks an intrinsic band gap, preventing its use in effective field-effect transistors (FETs). Through first-principles GW calculations, researchers have predicted a series of novel Dion-Jacobson phase halide perovskite semiconductors CsSb(Br1-xIx)(4), which show quasi-linear band edge dispersion similar to graphene. Among them, CsSbBr2I2 exhibits a direct bandgap, high carrier mobility, and excellent electronic and transport properties. These findings provide valuable insights for the exploration of semiconductors with excellent transport properties. The predicted DJ perovskites also show promising mechanical, electronic, transport, and optical properties, suggesting their versatile applications in infrared optoelectronics, high-speed electronics, and photovoltaics.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Yuqing Zhang, Yong He, Zhenyu Tang, Wenjin Yu, Zehao Zhang, Zhijian Chen, Lixin Xiao, Jun-jie Shi, Shufeng Wang, Bo Qu
Summary: This study reports a strategy to synthesize ultrasmall lead-free perovskite-derivant quantum dots at room temperature using metal-organic frameworks. The resulting quantum dots exhibit deep-blue emission and superior stability, and temperature-dependent photoluminescence is observed. This research provides new insights into the fabrication of lead-free perovskite-derivant quantum dots and the development of optoelectronic devices.
Article
Chemistry, Multidisciplinary
Yong He, Jun-jie Shi
Summary: A new ambient-pressure high-T (c) superconductor, (Be-4)(2)H nanosuperlattice, with better ductility than existing high-T (c) superconductors, has been proposed by inserting a hexagonal H-monolayer into two close-packed Be monolayers. It has a large electron-phonon coupling constant and a high critical temperature, filling the gap in ambient-pressure superconductors with good ductility around the liquid-nitrogen temperature, which is highly advantageous for practical applications.
Article
Chemistry, Physical
Yong He, Juan Du, Shi-ming Liu, Chong Tian, Min Zhang, Yao-hui Zhu, Hongxia Zhong, Xinqiang Wang, Jun-jie Shi
Summary: This study proposes a novel approach to achieve a high-temperature superconductor under ambient pressure by introducing a hexagonal hydrogen monolayer into the hexagonal close-packed magnesium lattice. The resulting compound, a few-hydrogen metal-bonded layered magnesium hydride (Mg-4)(2)H-1, exhibits superior ductility and a high critical temperature of 37 K under ambient conditions. This research is important because it presents a new pathway for exploring high-temperature superconductors and provides valuable insights for future experimental synthesis endeavors.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Shi-ming Liu, Jun-jie Shi, Yao-hui Zhu, Wen-hui Guo, Yong He, Chong Tian, Xinqiang Wang, Hong-xia Zhong
Summary: Searching for thermoelectrics with low lattice thermal conductivity Kl is crucial, and a split-anion approach is proposed to reduce Kl of antifluorite. Li4OSe obtained by this approach shows a Kl reduction of about 90% compared to Li2Se. This reduction is mainly due to the soft phonon branches and large optical bandwidth induced by lattice symmetry breaking after the split-anion approach. These findings provide ample scope for tuning the phonon band structure and thermal transport by reducing lattice symmetry.
Article
Materials Science, Multidisciplinary
Yong He, Jing Lu, Xinqiang Wang, Jun-jie Shi
Summary: This article proposes a design strategy for achieving superconductivity at ambient pressure by constructing few-hydrogen metal-bonded perovskite hydrides, such as Al4H, to address the challenge of high-pressure sample preparation. It predicts that Al4H has a favorable critical temperature Tc of up to 54 K under ambient pressure.
Article
Chemistry, Physical
Wen-hui Guo, Hong-xia Zhong, Juan Du, Yao-hui Zhu, Shi-ming Liu, Yong He, Chong Tian, Min Zhang, Xinqiang Wang, Jun-jie Shi
Summary: Anti-carbide perovskites M(6)CCh(4) with good stability and high light absorption performance are predicted as potential stable photovoltaic materials through first-principles calculations. Among them, Ca6CSe4 and Sr6CSe4 are screened as the best single-junction solar-cell absorbers.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Physical
Shi-ming Liu, Hong-xia Zhong, Jun-jie Liang, Min Zhang, Yao-hui Zhu, Juan Du, Wen-hui Guo, Yong He, Xinqiang Wang, Jun-jie Shi
Summary: By designing new inorganic layered tin-based perovskite materials, the stability issues of tin-based solar cells have been successfully addressed, resulting in improved performance.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Materials Science, Multidisciplinary
Juan Du, Jun-jie Shi, Wen-hui Guo, Shi-ming Liu, Yong He, Chong Tian, Yao-hui Zhu, Hong-xia Zhong
Summary: Novel lead-free inorganic chalcogenide perovskites ACeTe3 based on cerium are proposed as suitable optical absorbers for thin-film solar cells, showing characteristics of direct-band-gap semiconductors and superior optical absorption coefficients.
Article
Chemistry, Physical
Wen-hui Guo, Yao-hui Zhu, Min Zhang, Juan Du, Yu-lang Cen, Shi-ming Liu, Yong He, Hong-xia Zhong, Xinqiang Wang, Jun-jie Shi
Summary: The Pb-free all-inorganic Dion-Jacobson perovskite CsSbCl4 has been proposed as a potential alternative to Pb-based halide perovskites for photovoltaic applications, due to its optimal bandgap, high carrier mobility, and promising efficiency.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Materials Science, Ceramics
Zhao Yupeng, He Yong, Zhang Min, Shi Junjie
JOURNAL OF INORGANIC MATERIALS
(2020)