Article
Chemistry, Physical
Thi Huong Nguyen, Van Quang Nguyen, Jong Ho Park, Thi Toan Tran, Anh Tuan Pham, Sudong Park, Jong-Soo Rhyee, Sunglae Cho
Summary: We fabricated undoped and (Te, Zn)-codoped n-type CuAgSe polycrystals successfully. The (Te, Zn) codoping on CuAgSe reduces the lattice thermal conductivity to about 0.3 W m(-1) K-1 at 673 K and increases the electrical conductivity. Particularly, a ZT value of 0.91 was achieved at 623 K, which is the highest ZT value in n-type CuAgSe. Therefore, the Te and Zn codoping is a potential way to improve the thermoelectric performance of n-type CuAgSe.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
S. Nazir, T. Liaqat, Kaynat Alvi, M. Zulfiqar
Summary: Using ab-initio calculations, we demonstrate that the electron-doped Janus MoSSe monolayer exhibits stable n-type half-metallic ferromagnetism with a high charge carrier density and a large energy band gap. The calculated Curie temperature indicates the stability of the ferromagnetic structure, and Fe-doped MoSSe is highly desired for device application. Biaxial strain can induce a transition from a ferromagnetic to a non-magnetic state, and strain engineering can enhance the Curie temperature.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Review
Physics, Multidisciplinary
Qi Zhang, Hengda Sun, Meifang Zhu
Summary: This review discusses the performance and factors affecting n-type organic thermoelectric (OTE) materials, with a focus on the effect of backbone planarity on doping efficiency and thermoelectric performance. Strategies for improving performance, such as implementing rigid backbones or modifying conventional building blocks, are summarized. The outlook section highlights new possibilities for the future development of this field.
Article
Chemistry, Multidisciplinary
Pinyu Chen, Dongyang Wang, Liang Luo, Jinqiu Meng, Zhaoqiong Zhou, Xiaojuan Dai, Ye Zou, Luxi Tan, Xiangfeng Shao, Chong-an Di, Chunyang Jia, Hao-Li Zhang, Zitong Liu
Summary: This study reports the use of self-doped conjugated polymers in flexible thin-film transistors (OTFTs), which enables high unipolar n-type charge mobility, as well as good operational/ambient stability and bending resistance. New conjugated polymers PNDI2T-NM17 and PNDI2T-NM50 with different self-doping groups are designed and synthesized. The results show that the self-doped PNDI2T-NM17-based flexible OTFTs exhibit high charge-carrier properties and stability due to the appropriate doping level and intermolecular interactions.
ADVANCED MATERIALS
(2023)
Article
Physics, Multidisciplinary
Kaynat Alvi, S. Nazir
Summary: In this study, we investigated the combined effects of Co-doping and strain on the thermodynamics and electronic structure of FeTe2 using ab-initio calculations. Co-doping induced n-type conductivity in the system, with a substantial charge carrier density. The metallicity mainly came from Co-3d and Fe-3d orbitals. The Co-doped FeTe2 structure showed stability and n-type conduction under both compressive and tensile strains.
Article
Chemistry, Physical
Charles J. Zeman, Samuel M. Kielar, Leighton O. Jones, Martin A. Mosquera, George C. Schatz
Summary: This study systematically investigated the effects of vacancies and silicon substitutions on the electronic structure of Ga2O3, and found that silicon can act as an amphoteric dopant for p-type behavior under certain conditions.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
M. Rahman, M. Kamruzzaman, J. A. Zapien, R. Afrose, T. K. Anam, M. N. H. Liton, M. A. Helal, M. K. R. Khan
Summary: Elemental doping is an efficient strategy to modulate different properties of semiconductors, and this study investigates the conversion from n-type to p-type and band gap modulation of ZnO using both theoretical and experimental approaches. The results show that silver (Ag) and silver-lithium (Ag-Li) doping can create acceptor levels in ZnO, making them promising dopants for generating p-type ZnO. Significant changes in photoconductivity and optical properties are also observed. This study helps in understanding the doping mechanism in ZnO and provides insights for the fabrication of p-type ZnO for advanced electronic and opto-electronic applications.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Physics, Condensed Matter
Guruprasad Sahoo
Summary: The study on the effects of Ag doping on Cu3N reveals that both substitutional and interstitial doping result in lattice expansion, with the variation of lattice parameters dependent on impurity sites for substitutional doping. The substitutional doped system exhibits an indirect band gap semiconducting nature, while interstitial Ag doping induces semimetallic behavior.
PHYSICA B-CONDENSED MATTER
(2021)
Article
Physics, Condensed Matter
Adeeba Naz, Shatha A. Aldaghfag, Muhammad Yaseen, Mehwish K. Butt, Muhammad Kashif, Muhammad Zahid, Shanza Mubashir, H. H. Somaily
Summary: In this study, the FP-LAPW method based on DFT was used to investigate the effects of Ce doping on the band structure and optical properties of BaTiO3 compound. The results revealed that Ce doping can transform Ba1-xCexTiO3 from an indirect band gap semiconductor to a direct band gap semiconductor, and the band gap width decreases with the increase of Ce concentration. Furthermore, the optical behavior of Ba1-xCexTiO3 compounds was evaluated, and it was found that Ce doping could make BaTiO3 compound promising for optical and optoelectronic devices.
PHYSICA B-CONDENSED MATTER
(2022)
Article
Chemistry, Physical
Chiara Olla, Stefania Porcu, Francesco Secci, Pier Carlo Ricci, Carlo Maria Carbonaro
Summary: This study investigated the possibility of introducing N-N bonding in the carbon network of Carbon Dots through hydrothermal synthesis, and validated it through experiments and computational simulations.
Article
Materials Science, Multidisciplinary
Chang-Rong Guo, Bing-Chao Qin, Dong-Yang Wang, Li-Dong Zhao
Summary: Recent research has focused on the transport properties of n-type SnTe based on theoretical predictions and experimental findings. This study successfully achieved n-type transport behavior in SnTe by using chlorine as a dopant, which effectively regulated the position of the Fermi level in the Sn0.6Pb0.4Te matrix. The results showed that bromine and iodine had better doping efficiencies compared to chlorine, leading to improved thermoelectric performance in n-type SnTe.
Article
Chemistry, Physical
Caiyun Xu, Sheng Yang, Qinlong Fan, Zhizhong Xie, Dan Liu, Xi Li, Ruiming Zhang, Haolin Tang, Junsheng Li, Deyu Qu
Summary: To enhance the hydrogen storage performance, Pt-Co bi-metallic nanoparticles were decorated onto N-doped mesoporous carbon material where Co enriched the capacity and Pt enhanced the kinetic performance. The 2% Pt-Co@NMC material exhibited a hydrogen storage capacity of over 360 mAh g-1 at a current density of 100 mA g-1, with a capacity retention of 53.6% at the 2000 mA g-1 rate compared to 100 mA g-1. It also showed low self-discharge and good cycling performance. First-principles calculations demonstrated that the adsorption of H atom on the Pt (110) crystal plane was the most stable, contributing to the improvement of the kinetic performance for hydrogen intercalation.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Fateme Nattagh, Sharieh Hosseini, Mehdi D. Esrafili
Summary: Density functional theory calculations show that B and N atoms can stably insert into C-60, enhancing the adsorption of AS molecules. The adsorption energy analysis indicates that C59B and C58BN have strong adsorption capabilities for AS molecules.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Xiaokang Geng, Tian Du, Chenhui Xu, Yingying Liu, Yunfeng Deng, Yanhou Geng
Summary: In this study, two conjugated polymers (CPs) were synthesized to obtain p-type and n-type conductive materials through selective doping. PTQDPP-2FT performed better in organic thermoelectric devices, with p-type and n-type power factors of 278.2 and 2.37 mu W m(-1) K-2, respectively. These are the best bipolar (p-type and n-type) performances achieved by selective doping of a single polymer.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Physical
Jingyi Liu, Jiani Ma, Xin Du, Fanjunjie Han, Shaoqing Shi, Guochun Yang
Summary: Aluminum nitride (AlN) as a new-generation ultraviolet light source has attracted great interest, with the urgent need to improve its p-type conductivity. Through first-principles calculations, Zn and F co-doping is proposed as an effective strategy to achieve excellent p-type AlN. The study showcases the significant impact of Zn and F co-doping on enhancing the solubility of Zn acceptor and carrier concentration for improved p-type conductivity, supported by analysis of the projected density of states.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Physics, Multidisciplinary
Tinggui Chen, Baizhan Xia, Dejie Yu, Chuanxing Bi
Summary: This study proposes a gradient phononic crystal structure for enhanced acoustic sensing. By breaking the symmetry of the PC structure, topologically protected edge states are introduced, resulting in topological acoustic rainbow trapping. The robustness and enhancement properties are verified numerically and experimentally.
