Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study

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作者
Kumar, Kamal [1 ]
de Leeuw, Nora H. [2 ,3 ]
Adam, Jost [4 ,5 ]
Mishra, Abhishek Kumar [1 ]
机构
[1] Department of Physics, Applied Science Cluster, School of Advanced Engineering, University of Petroleum and Energy Studies (UPES), Bidholi via Premnagar, Uttarakhand, Dehradun,248007, India
[2] School of Chemistry, University of Leeds, Leeds,LS2 9JT, United Kingdom
[3] Department of Earth Sciences, Utrecht University, Utrecht,3584 CB, Netherlands
[4] Computational Materials and Photonics, Electrical Engineering and Computer Science (FB 16), Institue of Physics (FB 10), University of Kassel, Wilhelmshöher Allee 71, Kassel,34121, Germany
[5] Center for Interdisciplinary Nanostructure Science and Technology, University of Kassel, Heinrich-Plett-Straße 40, Kassel,34132, Germany
关键词
Kamal Kumar (KK) and AKM acknowledge the University of Kassel; Germany; for visiting scholar positions and computational resources. Parts of this work have been performed using the Danish National Life Science Supercomputing Centre; Computerome. This work has also used the ARCHER2 UK National Supercomputing Service (https://www.archer2.ac.uk). Dr. Abhishek Kumar Mishra (AKM) acknowledges the Science and Engineering Research Board (SERB) for a state university research excellence (SURE) grant (SUR/2022/004935);
D O I
10.3762/BJNANO.15.116
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页码:1440 / 1452
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