Journal ArticleDOI
Understanding of the Buckling Distortions in Silicene
Deepthi Jose,Ayan Datta +1 more
TLDR
In this article, the buckling distortions in the individual six membered rings of silicene have been investigated and it has been shown that the stabilization of puckering σ-backbone overwhelms the π-backbones destabilization.Abstract:
Silicene, the all Si analogue of graphene is structurally different due to the presence of buckling distortions in the individual six membered rings. The sufficiently strong coupling between the unoccupied molecular orbitals (UMOs) with occupied molecular orbitals (OMOs) leads to pseudo-Jahn–Teller distortion (PJT) and the characteristic buckling in silicenes. σ–π separation analyses reveal that the σ-backbone gets stabilized, whereas the π-backbone is destabilized due to buckling. However, the stabilization of puckering σ-backbone overwhelms the π-backbone destabilization. This is exactly opposite to that of graphene. The cations like Li+ can suppress the PJT distortions resulting in a planar structure. This leads to opening of band gap (∼1.62 eV). Si substituted benzenes binds more strongly with Li+ than benzene. The mutual competition/synergy between the orbital interactions of the ring with the cation and the π-charge density across the surface of molecule governs the stability of these complexes.read more
Citations
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Journal ArticleDOI
Rise of silicene: A competitive 2D material
Jijun Zhao,Hongsheng Liu,Zhi-Ming Yu,Ruge Quhe,Ruge Quhe,Si Zhou,Yangyang Wang,Cheng-Cheng Liu,Hongxia Zhong,Nannan Han,Jing Lu,Yugui Yao,Kehui Wu +12 more
TL;DR: In this paper, a comprehensive review of all the important theoretical and experimental advances on silicene to date, from the basic theory of intrinsic properties, experimental synthesis and characterization, modulation of physical properties by modifications, and finally to device explorations is presented.
Journal ArticleDOI
Graphene-analogous low-dimensional materials
Qing Tang,Zhen Zhou +1 more
TL;DR: In this paper, the authors summarize the recent progress on graphene-analogous low-dimensional materials (2D nanosheets and 1D nanoribbons) from both experimental and computational side, and emphasis is placed on structure, properties, preparation, and potential applications of graphene analogous materials as well as the comparison with graphene.
Journal ArticleDOI
Pseudo-Jahn-teller effect--a two-state paradigm in formation, deformation, and transformation of molecular systems and solids.
Journal ArticleDOI
Germanene: the germanium analogue of graphene.
Adil Acun,Lijie Zhang,Pantelis Bampoulis,M. Farmanbar,A. van Houselt,Alexander N. Rudenko,Magalí Lingenfelder,Geert Brocks,Bene Poelsema,Mikhail I. Katsnelson,Henricus J.W. Zandvliet +10 more
TL;DR: A topical review of the various methods to synthesize germanene is addressed, a brief overview of the key results that have been obtained by density functional theory calculations are provided and the potential of germanenes for future applications is discussed.
Journal ArticleDOI
Structures and chemical properties of silicene: unlike graphene.
Deepthi Jose,Ayan Datta +1 more
TL;DR: The challenges and progress in the field of silicene research are summarized and theoretical calculations have predicted thatsilicene possesses graphene-like properties such as massless Dirac fermions that carry charge and the quantum spin Hall effect.
References
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