Bis (dithiolato) metal complexes, MDT2s, with π-conjugated molecular skeletons exhibit
multi-step ligand-centered or metal-centered redox activity and catalytic hydrogen evolution …

Knowledge about chemical functionalization is of fundamental importance to design novel
two-dimensional topological insulators. Despite theoretical predictions of quantum spin Hall …

Abstract Two-dimensional (2D) transition metal oxides (TMOs) are an emerging class of
nanomaterials. Using density functional theory and ab initio molecular dynamics (AIMD) …

Quantum spin Hall (QSH) insulators with large band gaps and dissipationless edge states
are of both technological and scientific interest. Although numerous two-dimensional (2D) …

Abstract Topological Insulators (TIs) are unique materials where insulating bulk hosts
linearly dispersing surface states protected by the Time-Reversal Symmetry. These states …

We predict a new 2D topological insulator, namely the half hydrogenated PbBi-H monolayer,
with an intrinsic Dirac double cone using GGA corrected to Rashba spin splittings using HSE …

A universal topology is predicted for nodal-ring bands formed in planar honeycomb lattices
through tight-binding models and topological quantum chemistry theories. In planar …

We study the effect of electron-phonon interactions on the electrical conductance of a helical
edge state of a two-dimensional topological insulator. We show that the edge deformation …

Using first-principles calculations based on density functional theory (DFT), the structural
and electronic properties of hydrogenated antimonene have been systematically …

Although the transport of topological edge states may be insensitive to impurities, impurities
may induce the interedge scattering and backscattering in topological nanoribbons due to …