Homoleptic cyanide compounds exist of almost all main group elements. While the alkali
metals and alkaline earth metals form cyanide salts, the cyanides of the lighter main group …

Oxidative anion insertion into graphite in an aqueous environment represents a significant
challenge in the construction of aqueous dual‐ion batteries. In dilute aqueous electrolytes …

Introduction of H2O provides an effective strategy to tailor conductivity and viscosity in an
electrolyte based on a deep eutectic solvent (DES), as well as customizing the energy …

The superhalogen properties of polynuclear structures without halogen ligand are
theoretically explored here for several [M 2 (CN) 5]− 1 (M= Ca, Be) clusters. At CCSD (T) …

The first theoretical exploration of superhalogen properties of polynuclear structures based
on pseudohalogen ligand is reported here via a case study on eight triply-bridged [Mg 2 …

An ab initio study of the superhalogen properties of eighteen binuclear double‐bridged [Mg2
(CN) 5]− 1 clusters is reported herein by using various theoretical methods. High‐level …

A systematic density functional theory study including 17 exchange-correlation functionals
was performed on different types of superhalogens with high level coupled-cluster single …

Using density functional theory (DFT) with a generalized gradient approximation for the
exchange and correlation potential, we have studied the geometrical structure and …

A combined ab initio and DFT study is performed in this work to explore the superhalogen
properties of polynuclear structures based on the ligands of–OH,–OOH and–OF. According …

Silicon-based materials are crucial for conventional electronics. The fascinating properties of
the new two-dimensional material silicene, the silicon analogue of graphene (one atom-thick …