Citations¶
How to cite¶
Important
If you find VASPKIT code useful in your work, you should cite our papers and the appropriate references therein
[1] V. Wang, N. Xu, J.C. Liu, G. Tang, W.T. Geng, VASPKIT: A User-Friendly Interface Facilitating High-Throughput Computing and Analysis Using VASP Code, Computer Physics Communications 267, 108033 (2021). https://doi.org/10.1016/j.cpc.2021.108033
and state in your manuscript/paper that you have used the VASPKIT program. An appropriate way of acknowledging the use of VASPKIT in your publications would be, for instance, adding a sentence like
“We used the VASPKIT code for post-processing of the VASP calculated data.” or “The electronic band calculations were performed with density functional theory (DFT) by combining the Vienna ab initio Simulation package (VASP) with post-processing VASPKIT package.”
@article{VASPKIT,
title = {VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code},
journal = {Computer Physics Communications},
volume = {267},
pages = {108033},
year = {2021},
doi = {https://doi.org/10.1016/j.cpc.2021.108033},
author = {Vei Wang and Nan Xu and Jin-Cheng Liu and Gang Tang and Wen-Tong Geng},
}
Cited publications¶
The VASPKIT program has been cited by more than 650 times (google scholar) since 2020. Many thanks to the authors! Some of them are listed below.
Li, F. Xu, X. Tang, S. Dai, T. Pu, X. Liu, et al., Induced activation of the commercial Cu/ZnO/Al2O3 catalyst for the steam reforming of methanol. Nature Catalysis 5, 1-10 (2022). https://doi.org/10.1038/s41929-021-00729-4
Zhao, C. Deng, D. Tang, et al., α-Fe2O3 as a versatile and efficient oxygen atom transfer catalyst in combination with H2O as the oxygen source. Nature Catalysis 4, 684–691 (2021). https://doi.org/10.1038/s41929-021-00659-1
Peng, R. Xie, Z. Wang, et al., Blackbody-sensitive room-temperature infrared photodetectors based on low-dimensional tellurium grown by chemical vapor deposition. Science Advances 7, eabf7358 (2021). https://doi.org/10.1126/sciadv.abf7358
Ohtsuka, N. Kanazawa, M. Hirayama, et al., Emergence of spin-orbit coupled ferromagnetic surface state derived from Zak phase in a nonmagnetic insulator FeSi, Science Advances 7, eabj0498 (2021). https://doi.org/10.1126/sciadv.abj0498
Ruan, X. Wang, C. Wang, et al., Selective catalytic oxidation of ammonia to nitric oxide via chemical looping. Nature Communications 13, 718 (2022). https://doi.org/10.1038/s41467-022-28370-0
Bai, J. Wu, X. Su, et al., Electroresistance in multipolar antiferroelectric Cu2Se semiconductor, Nature Communications 12, 1 (2021). https://doi.org/10.1038/s41467-021-27531-x
Liu, J.-A. Wang, et al., Interfacial electronic structure engineering on molybdenum sulfide for robust dual-pH hydrogen evolution, Nature Communications 12, 5260 (2021). https://doi.org/10.1038/s41467-021-25647-8
Xian, M. Claassen, et al., Realization of nearly dispersionless bands with strong orbital anisotropy from destructive interference in twisted bilayer MoS2, Nature Communications 12, 5644 (2021). https://doi.org/10.1038/s41467-021-25922-8
Bao, Y. Qiu, X. Peng, et al., Isolated copper single sites for high-performance electroreduction of carbon monoxide to multicarbon products. Nature Communications 12, 238 (2021). https://doi.org/10.1038/s41467-020-20336-4
Li, D. Rao, J. Zhou, et al., Amorphization-induced surface electronic states modulation of cobaltous oxide nanosheets for lithium-sulfur batteries. Nature Communications 12, 3102 (2021). https://doi.org/10.1038/s41467-021-23349-9
Yu, W. Liu, S.-W. Ke, M. Kurmoo, J.-L. Zuo, Q. Zhang, Electrochromic two-dimensional covalent organic framework with a reversible dark-to-transparent switch, Nature Communications 11, 5534 (2020). https://doi.org/10.1038/s41467-020-19315-6
Wu, L. Lin, J. Liu, J. Zhang, F. Zhang, T. Zhou, N. Rui, S. Yao, Y. Deng, F. Yang, W. Xu, J. Luo, Y. Zhao, B. Yan, X.-D. Wen, Jose A. Rodriguez, D. Ma, Inverse ZrO2/Cu as a highly efficient methanol synthesis catalyst from CO2 hydrogenation, Nature Communications 11, 5767 (2020). https://doi.org/10.1038/s41467-020-19634-8
Yoshida, H. Akamatsu, and K. Hayashi, Electronic Origin of Non-Zone-Center Phonon Condensation: Octahedral Rotation as a Case Study, Phys. Rev. Lett. 127, 215701 (2021). https://doi.org/10.1103/PhysRevLett.127.215701
Han, C. Feng, M. H. Du, et al. Design of High-Performance Lead-Free Quaternary Antiperovskites for Photovoltaics via Ion Type Inversion and Anion Ordering. Journal of the American Chemical Society 143, 12369–12379 (2021). https://doi.org/10.1021/jacs.1c06403
Luo, X. Qiao, R. Dronskowski, Predicting Nitrogen-based Families of Compounds: Transition-metal Guanidinates TCN3 (T= V, Nb, Ta) and Ortho-nitrido Carbonates T2CN4 (T= Ti, Zr, Hf), Angew. Chem. Int. Ed. (2020) 202011196. https://doi.org/10.1002/anie.202011196
Wang, P. Wu, Z. Wang, M. Luo, F. Zhong, X. Ge, K. Zhang, M. Peng, Y. Ye, Q. Li, H. Ge, J. Ye, T. He, Y. Chen, T. Xu, C. Yu, Y. Wang, Z. Hu, X. Zhou, C. Shan, M. Long, P. Wang, P. Zhou, W. Hu, Air-Stable Low-Symmetry Narrow-Bandgap 2D Sulfide Niobium for Polarization Photodetection, Adv. Mater. (2020) 2005037. https://doi.org/10.1002/adma.202005037
Liu, Z. Hu, Y. Wu, J. Zhang, Y. Zhang, B. Cui, C. Liu, S. Hu, N. Zhao, X. Han, A. Cao, Y. Chen, Y. Deng, W. Hu, Dislocation-Strained IrNi Alloy Nanoparticles Driven by Thermal Shock for the Hydrogen Evolution Reaction, Adv. Mater. (2020) 2006034. https://doi.org/10.1002/adma.202006034
Zhang, J. Ma, R. Li, H. Jiao, Hydrocracking of Fused Aromatic Hydrocarbons Catalyzed by Al-Substituted HZSM-5A Case Study of 9,10-Dihydroanthracene, ACS Catal. 10 (16) (2020) 9215-9226. https://doi.org/10.1021/acscatal.0c00946
Sheng, Y. He, J. Li, C. Yuan, H. Huang, S. Wang, Y. Sun, Z. Wang, F. Dong, Identification of Halogen-Associated Active Sites on Bismuth-Based Perovskite Quantum Dots for Efficient and Selective CO2-to-CO Photoreduction, ACS Nano 14 (10) (2020) 13103-13114. https://doi.org/10.1021/acsnano.0c04659
Gu, Z. Zhao, J. Huang, et al. MX Anti-MXenes from Non-van der Waals Bulks for Electrochemical Applications: The Merit of Metallicity and Active Basal Plane. ACS Nano, 2021. https://doi.org/10.1021/acsnano.0c08429
Meng, B. Li, Q. Wang, J. Hao, B. Huang, F. L. Gu, H. Xu, P. Liu, Y. Tong, Large-Scale Electric-Field Confined Silicon with Optimized Charge-Transfer Kinetics and Structural Stability for High-Rate Lithium-Ion Batteries, ACS Nano 14 (6) (2020) 7066-7076. https://doi.org/10.1021/acsnano.0c01796
Huang, J. Zhao, Y. Du, C. Zhou, M. Zhang, Z. Wang, Y. Weng, J. Long, J. Hofkens, J. A. Steele, M. B. J. Roeaers, Direct Z-Scheme Heterojunction of Semicoherent FAPbBr3/Bi2WO6 Interface for Photoredox Reaction with Large Driving Force, ACS Nano (Jun. 2020). https://doi.org/10.1021/acsnano.0c03146
Hou, Q. Yao, C.-S. Zhou, X.-M. Ma, M. Han, Y.-J. Hao, X. Wu, Y. Zhang, H. Sun, C. Liu, Y. Zhao, Q. Liu, J. Lin, Te-Vacancy-Induced Surface Collapse and Reconstruction in Antiferromagnetic Topological Insulator MnBi2Te4, ACS Nano 14 (9) (2020) 11262-11272. https://doi.org/10.1021/acsnano.0c03149
Chen, O. Skibitzki, L. Pedesseau, A. Létoublon, J. Stervinou, R. Bernard, C. Levallois, R. Piron, M. Perrin, M. A. Schubert, et al., Strong Electron Phonon Interaction in 2D Vertical Homovalent IIIV Singularities, ACS Nano 14 (10) (2020) 13127-13136. https://doi.org/10.1021/acsnano.0c04702
Jin, M. Cheng, H. Liu, M. Ouzounian, T. S. Hu, B. You, G. Shao, X. Liu, Y. Liu, H. Li, S. Li, J. Guan, S. Liu,Na2SO4-Regulated High-Quality Growth of Transition Metal Dichalcogenides by Controlling Diffusion, Chem. Mater. 32 (13) (2020) 5616-5625. https://doi.org/10.1021/acs.chemmater.0c01089
Xu, L. Li, Y. He, Y. Tong, Y. Lu, Understanding the molecular mechanism of lithium deposition for practical high-energy lithium-metal batteries, J. Mater. Chem. A 8 (2020) 6229-6237. https://doi.org/10.1039/D0TA01044H
Wang, Y. C. Liu, Y. Kawazoe, W. T. Geng, Role of Interlayer Coupling on the Evolution of Band Edges in Few-Layer Phosphorene, J. Phys. Chem. Lett. 6 (24) (2015) 4876-4883. https://doi.org/10.1021/acs.jpclett.5b02047
Sugathan, B. Bhattacharyya, V. V. R. Kishore, A. Kumar, G. P. Rajasekar, D. D. Sarma, A. Pandey, Why Does CuFeS2 Resemble Gold?, J. Phys. Chem. Lett. 9 (4) (2018) 696-701. https://doi.org/10.1021/acs.jpclett.7b03190
Li, R. Long, Q. Yao, Z. Zhu, Q. Mi, Band Alignment Boosts Charge-Carrier Collection in Sn-based Perovskite over Pb Counterparts, J. Phys. Chem. Lett. 10 (13) (2019) 3699-3703. https://doi.org/10.1021/acs.jpclett.9b01405
Kuklin, L. Gao, H. Zhang, H. Agren, Two-Dimensional Gold Halides: Novel Semiconductors with Giant Spin-Orbit Splitting and Tunable Optoelectronic Properties, J. Phys. Chem. Lett. 11 (2020) 9759-9765. https://doi.org/10.1021/acs.jpclett.0c02788
Geng, V. Wang, Y. C. Liu, T. Ohno, J. Nara, Moire Potential, Lattice Corrugation, and Band Gap Spatial Variation in a Twist-Free MoTe2/MoS2 Heterobilayer, J. Phys. Chem. Lett. 11 (7) (2020) 2637-2646. https://doi.org/10.1021/acs.jpclett.0c00605
Mohanta, A. De Sarkar, Coupled spin and valley polarization in monolayer HfN2 and valley-contrasting physics at the HfN2-WSe2 interface, Phys. Rev. B 102 (2020) 125414. https://doi.org/10.1103/PhysRevB.102.125414
Jiang, L.-L. Kang, X.-H. Zheng, Z. Zeng, and S. Sanvito, Phys. Rev. B 102 (2020) 195408, https://doi.org/10.1103/PhysRevB.102.195408
Kingsland, K. A. Lynch, S. Lisenkov, X. He, I. Ponomareva, Comparative study of Minnesota functionals performance on ferroelectric BaTiO3 and PbTiO3, Phys. Rev. Materials 4 (2020) 073802. https://doi.org/10.1103/PhysRevMaterials.4.073802
Zhong, K. Huang, G. Yu, S. Yuan, Electronic and mechanical properties of few-layer borophene, Phys. Rev. B 98 (2018) 054104. https://doi.org/10.1103/PhysRevB.98.054104
Jiang, L.-L. Kang, X.-H. Zheng, Z. Zeng, and S. Sanvito, Computational prediction of a two-dimensional semiconductor SnO2 with negative Poisson’s ratio and tunable magnetism by doping, Phys. Rev. B 102 (2020) 195408, https://doi.org/10.1103/PhysRevB.102.195408
Niu, Z.-F. Zhang, X.-T. Wang, X.-H. Wan, C. Shao, Y.-Z. Guo, Theoretical Insights into the Mechanism of Selective Nitrate‐to‐Ammonia Electroreduction on Single‐Atom Catalysts, Adv. Funct. Mater. (2020) 2008533, https://doi.org/10.1002/adfm.202008533
Xu J.-B. Liu, B.‐X. Liu, B. Huang, Exotic Structural and Optoelectronic Properties of Layered Halide Double Perovskite Polymorphs, Adv. Funct. Mater. (2020) 2008620, https://doi.org/10.1002/adfm.202008620
L.-F. Gao, R. Wang, A. V. Kuklin, H. Zhang, H. Ågren, PbSe Nanocrystals Produced by Facile Liquid Phase Exfoliation for Efficient UV–Vis Photodetectors, Adv. Funct. Mater. (2021) 2010401, https://doi.org/10.1002/adfm.202010401