Two-dimensional semiconductors ZrNCl and HfNCl: Stability, electric transport, and thermoelectric properties
Two-dimensional semiconductors ZrNCl and HfNCl: Stability, electric transport, and thermoelectric properties
Citing Articles
2018 {3}
· Yosslen Aray and Antonio Diaz Barrrios, "Exploring the electron density localization in MoS2 nanoparticles by means of a localize-electrons detector: Unraveling the origin of the one-dimensional metallic sites on MoS2 catalysts", Phys. Chem. Chem. Phys. 20, 20417-20426 (2018).
· Gargee Bhattacharyya, Indrani Choudhuri, and Biswarup Pathak, "High Curie temperature and half-metallicity in atomically thin main group based boron phosphide system: Long range ferromagnetism", Phys. Chem. Chem. Phys. 20, 22877-22889 (2018).
· Won Seok Yun and J. D. Lee, "Exploring a Novel Atomic Layer with Extremely Low Lattice Thermal Conductivity: ZnPSe3 and Its Thermoelectrics", J. Phys. Chem. C 122, 27917-27924 (2018).
2019 {2}
· J. D. Yao, Z. Q. Zheng, and G. W. Yang, "Production of large-area 2D materials for high-performance photodetectors by pulsed-laser deposition", Progress Mater. Sci. 106, 100573 (2019).
· Won Seok Yun and J. D. Lee, "Single-layer CdPSe3: A promising thermoelectric material persisting in high temperatures", Appl. Phys. Lett. 115, 193105 (2019).
2020 {4}
· Xiaoxia Yu, Hezhu Shao, Xueyun Wang, Yingcai Zhu, Daining Fang, and Jiawang Hong, "Anomalous lattice thermal conductivity in layered materials MNCl (M=Zr, Hf) driven by the lanthanide contraction", J. Mater. Chem. A 8, 3128-3134 (2020). See also: arXiv:1911.06989.
· Xinyu Liu, Xiaoning An, Bin Xu, Qiong Xia, Guiming Lu, Gongqi Yu, Jing Zhang, Shanshan Ma, Yusheng Wang, Jifang Li, Hongbing Dong, and Lin Yi, "Ab initio prediction of thermoelectric properties of monolayer ZrNCl and HfNCl", J. Solid State Chem. 290, 121500 (2020).
· Qi-Dong Hao, Yan Luo, Zhao-Yi Zeng, Xiang-Rong Chen, and Qi-Feng Chen, "Quasiparticle band structures and optical properties of monolayer ZrNX (X=Cl, Br, I) under exciton effect", Solid State Commun. 322, 114049 (2020).
· Ting Zhang, Yandong Ma, Xilong Xu, Chengan Lei, Baibiao Huang, and Ying Dai, "Two-Dimensional Valleytronics in Single-Layer t-ZrNY (Y = Cl, Br) Predicted from First-Principles", J. Phys. Chem. C 124, 20598-20604 (2020).
2021 {1}
· K. Koumoto, "Low-dimensional inorganic/organic hybrid thermoelectrics (Book Chapter)", Advances in Thermoelectricity: Foundational Issues, Materials and Nanotechnology (Editors: Dario Narducci, G. Jeffrey Snyder, Carlo Fanciulli) 207, p. 95-114 (2021) (IOS Press).
2022 {12}
· Mehrdad Rostami Osanloo, Ali Saadat, Maarten L. Van de Put, Akash Laturia, and William G. Vandenberghe, "Transition-metal nitride hlide dielectrics for transition-metal dichalcogenide tansistors", Nanoscale 14, 157-165 (2022). See also: arXiv:2108.09347.
· Wenwu Shi, Nina Ge, Xinzhong Wang, and Zhiguo Wang, "Thermoelectric Performance of ZrNX (X = Cl, Br, I) Monolayers", Phys. Chem. Chem. Phys. 24, 560-567 (2022).
· Hua Dai and Bin Xu, "Prediction of thermoelectric performance for monolayer HfNI", Bull. Mater. Sci. 45, 51 (2022).
· Phuong V. Pham, Srikrishna Chanakya Bodepudi, Khurram Shehzad, Yuan Liu, Yang Xu, Bin Yu, and Xiangfeng Duan, "2D Heterostructures for Ubiquitous Electronics and Optoelectronics: Principles, Opportunities, and Challenges", Chem. Rev. 122, 6514-6613 (2022).
· Valentin Crépel and Liang Fu, "Spin-triplet superconductivity from excitonic effect in doped insulators", Proc. Natl. Acad. Sci. USA 119, e2117735119 (2022).
· Huiyu Nong, Qinke Wu, Junyang Tan, Yujie Sun, Rongxu Zheng, Rongjie Zhang, Shilong Zhao, and Bilu Liu, "Layer-Dependent Raman Spectroscopy and Electronic Applications of Wide-Bandgap 2D Semiconductor β-ZrNCl", Small. 18, 2107490 (2022). See also: arXiv:2202.07319.
· Peng-Jen Chen, "Tunable Topological Phase Transition in Two-Dimensional Ternary Transition Metal Halides TiXI (X = P and As)", Front. Mater. 9, 909344 (2022).
· Shaher Azad, B. Rahman Rano, Ishtiaque M. Syed, and S. H. Naqib, "A comparative study of the physical properties of layered transition metal nitride halides MNCl (M = Zr, Hf ): DFT based insights", arXiv:2209.04980 (2022).
· Markus Ströbele, Oliver Oeckler, Michael Thelen, Reinhold F. Fink, Arun Krishnamurthy, Scott Kroeker, and Hans-Jürgen Meyer, "Pnictide-Capped Butterfly Cluster in the Crystal Structure of Nb4PnX11 (Pn = N, P; X = Cl, Br, I)", Inorg. Chem. 61, 17599-17608 (2022).
· Fatemeh Shirvani and Maryam Masoudi, "Energy storage applicability of novel two-dimensional transition metal nitride alloys: First principle study", Solid State Commun. 358, 115002 (2022).
· Shuwei Tang, Shulin Bai, Mengxiu Wu, Dongming Luo, Jingyi Zhang, Dongyang Wang, Shaobin Yang, and Li-Dong Zhao, "Improving thermoelectric performance of asymmetrical Janus 1T-SnSSe monolayer by the synergistic effect of band convergence and crystal lattice softening under strain engineering", Mater. Today Phys. 29, 100923 (2022).
· Won Seok Yun, Hyeon-Jun Lee, June-Seo Kim, Myoung-Jae Lee, and Sang Wook Han, "Thermoelectric performance of novel single-layer ZrTeSe4", Phys. Chem. Chem. Phys. 24, 28250-28256 (2022).
2023 {6}
· Satsuki Tomatsu, Kazuto Hatakeyama, Tomoki Tokudome, Chu-Wei Hsu, Michio Koinuma, and Shintaro Ida, "Photocatalytic Water Splitting Using Layered Zirconium Chloride Nitride", J. Phys. Chem. C 127, 2901-2907 (2023).
· Cenglin Yao, Xiaoxiao Rao, Wenyu Fang, Xiaofei Sheng, Shuang Peng, and Pengcheng Zhang, "Single-layer XBi2Se4 (X = Sn Pb) with multi-valley band structures and excellent thermoelectric performance", Ceram. Int. 49, 25455-25462 (2023).
· Y. Che, D. Wang, H. Lv, and X. Wu, "Crystal system and space group prediction of two-dimensional materials from chemical formula via deep neural networks", Mater. Today Chem. 33, 101667 (2023).
· Zhihui Yan, Yaning Li, and Shudong Wang, "Spin Mixing Control of Interlayer Excitons in ZrS2/ZrNCl Heterostructures", J. Phys. Chem. C 127, 20939-20944 (2023).
· Shaher Azad, B. Rahman Rano, Ishtiaque M. Syed, and Saleh H. Naqib, "A comparative study of the physical properties of layered transition metal nitride halides MNCl (M = Zr, Hf): DFT based insights", Phys. Scr. 98, 115982 (2023).
· Xie Wanying, Jiafei Pang, Jinni Yang, Xiao-Yu Kuang, and Ai-Jie Mao, "Highly-efficient heterojunction solar cells based on 2D ultrahigh carrier mobility Janus transition-metal nitride halide (TNH) monolayers", Nanoscale 15, 18328-28336 (2023).
2024 {6}
· Mengke Wang, Ya Wu, Shoutian Sun, and Xiang Ye, "TiNX (X = F, Cl) monolayer as potential anode materials for Li/Na-ion batteries applications", J. Energy Storage 78, 110105 (2024).
· Wen-Li Chang, Zi-Meng Zhang, Xin-Huan He, Ji-Long Zhang, Xiao-Ping Wei, and Xiaoma Tao, "Effect of uniaxial compressive strain on the thermoelectric properties of two-dimensional HfNF", Phys. Scr. 99, 025933 (2024).
· Zi-Meng Zhang, Wen-Li Chang, Zi-Qi Sun, Xin-Huan He, Ji-Long Zhang, Xiao-Ping Wei, and Xiaoma Tao, "Thermoelectric properties of two-dimensional ternary transition metal nitrides HfNF", Int. J. Quantum Chem. 124, e27350 (2024).
· Yi Wu, Yilian Li, Xiaozheng Fan, Yinong Zhou, Chunlan Ma, Shijing Gong, Tianxing Wang, Feng Yang, Ruqian Wu, and Yipeng An, "Electronic transport characteristics and nanodevice designs for β-HfNCl monolayer", Res. Phys. 57, 107360 (2024).
· Xiao-Xiao Rao, Xiao-fei Sheng, and Wen-yu Fang, "Promising thermoelectric performance towards single-layer β-ABN (A = Zr, Hf; B = Br, I)", Mater. Sci. Semicond. Process. 174, 108190 (2024).
· Abdullah Al Roman, Hind Adawi, A. A. E. L. Barbary, Md Mehdi Masud, and M. Mahbubur Rahman, "A first-principles investigation of structural, thermodynamic, electronic, and optical properties of doped 2D ZrNI monolayer", Mater. Chem. Phys. 319, 129268 (2024).
2025 {5}
· Shuang Zhao, Wei Zeng,Zheng-Tang Liu, Qi-Jun Liu, Dai-He Fan, Juan Gao, and Zhen Jiao, "Structural, electronic, and optical properties of two-dimensional and bulk ZrNBr from first-principles calculations", Chem. Phys. 588, 112487 (2025).
· Radhakrishnan Anbarasan, Duckjong Kim, and Jae Hyun Park, "Ternary transition-metal nitride halide monolayers MNI (M = Zr, Hf) with low thermal conductivity and high thermoelectric figure of merit", Comput. Mater. Sci. 247, 113508 (2025).
· S. Monika, G. Suganya, and G. Kalpana, "NiVX (X=Si & Ge) Heuslerene: A ferromagnetic semiconductor for thermoelectric and spintronics applications through DFT study", J. Phys. Chem. Solids 199, 112564 (2025).
· Fatemeh Shirvani, Mohammad Reza Jafari, and Aliasghar Shokri, "Investigating the layered structure of HfNBr and HfNCl0.5Br0.5: A DFT+U approach to optoelectronic and thermoelectric application", Phys. Scr. 100, 035984 (2025).
· Sandeep Kumar, Surender Pratap, and Shrishail S. Kubakaddi, "Thermoelectric transport properties of 2D semiconducting MXene Ti2CO2 with a large figure of merit", J. Appl. Phys. 137, 234302 (2025).
2026 {1}
· Kai Liu, Fei Li, WuYun DaLai, Shudong Wang and Guojun Zhao, "Electron transport in two-dimensional monolayer semiconductors β-ZrNCl and β-HfNCl: a first-principles study", J. Phys.: Condens. Matter 38, 015902 (2026).