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Journal of materials chemistry. C, Materials for optical and electronic devices, ISSN 2050-7534, 2016, Volume 4, Issue 16, pp. 3592 - 3598
.... In this paper, we investigate the electronic structure and bonding characteristics of borophene by first-principles calculations... 
Physical Sciences | Materials Science | Technology | Materials Science, Multidisciplinary | Physics | Science & Technology | Physics, Applied | Band structure of solids | Anisotropy | Mathematical analysis | Optical properties | Electronics | Thermodynamic properties | Two dimensional | Bonding
Journal Article
Carbon (New York), ISSN 0008-6223, 08/2018, Volume 134, pp. 103 - 111
In this study, structural characteristics and strain behaviors of C3N are investigated by first principles calculations... 
Band alignment | Two-dimensional semiconductor | C3N | Strain | Physical Sciences | Chemistry | Materials Science | Technology | Materials Science, Multidisciplinary | Chemistry, Physical | Science & Technology
Journal Article
Applied surface science, ISSN 0169-4332, 03/2019, Volume 469, pp. 456 - 462
....•High efficiency absorption of ultraviolet and visible light have been revealed. Using first principle calculations we have investigated the structure stabilities... 
Two-dimensional materials | First principle calculations | Planar penta-X2N4 (X= Ni, Pd and Pt) | Physical Sciences | Chemistry | Materials Science | Technology | Materials Science, Coatings & Films | Physics, Condensed Matter | Chemistry, Physical | Physics | Science & Technology | Physics, Applied
Journal Article
Chemistry, an Asian journal, ISSN 1861-4728, 11/2018, Volume 13, Issue 21, pp. 3239 - 3245
Motivated by the development of transition‐metal‐nitrogen‐carbon (TM‐N‐C) materials for catalysts and molecular electronics, we investigated the electronic and... 
first-principles calculations | half metallicity | two-dimensional materials | concentration effects | magnetic property | graphene
Journal Article
Applied surface science, ISSN 0169-4332, 07/2019, Volume 481, pp. 1549 - 1553
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9084, 2018, Volume 20, Issue 38, pp. 24726 - 24734
.... Here, we investigate the structural and electronic properties of SiC/graphene, SiC/MoS 2 , and graphene/SiC/MoS 2 vdW heterostructures using first-principles calculations... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
Journal Article
Diamond and related materials, ISSN 0925-9635, 04/2018, Volume 84, pp. 55 - 61
Journal Article
Chemical Society reviews, ISSN 1460-4744, 2015, Volume 44, Issue 9, pp. 2603 - 2614
...Chem Soc Rev TUTORIAL REVIEW The electronic structure calculations of two-dimensional transition-metal dichalcogenides Cite this: Chem. Soc. Rev., 2015, 44,2 6... 
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Multilayers | Electronic structure | Splitting | Hall effect | Materials selection | Magnetic fields | Two dimensional | Electric fields
Journal Article
Applied surface science, ISSN 0169-4332, 04/2016, Volume 369, pp. 76 - 81
Journal Article