Atomic-level design rules of metal-cation-doped catalysts: manipulating electron affinity/ionic radius of doped cations for accelerating sulfur redox kinetics in Li–S batteries

Abstract

Despite metal-cation doping into transition-metal dichalcogenides (TMDCs) has been investigated for promoting stepwise sulfur redox in lithium-sulfur batteries (LSBs), a rational design principle and systematic theoretical study on how to...

Ab initio study of p- and n-type doping of two-dimensional MoO2: investigation of a pn-homojunction

“…For doping with Technetium and Niobium, there is a strong accumulation of charges around the dopant and a depletion of charges around neighboring oxygen atoms. This depletion/accumulation of charges highlights the formation of covalent bonds between the dopant and its neighboring atoms, ensuring the long-term stability of the material similar to previous studies [23,38]. Since in this second section, we will also study the possibility of fabricating a pn junction, we will study two types of 4 × 4 cell stackings (vertical and horizontal stacking), and doping will not be done randomly.…”

An in situ formed inorganic conductive network enables high stability and rate capability of single-crystalline nickel-rich cathodes

“…This is in accordance with XRD results that the interlayer distance is slightly increased. 45 The XPS results [ESI Fig. S9†] also show that doping and coating have changed the surface structure.…”

Electrocatalytic water oxidation of coral-like porous Zn-CoP nanohybrids synergistically inspired by photothermal and photoelectronic effects

“…S5†), so as to weaken the Co–O bond and strengthen the Co–P bond in the Zn-CoP NHs. 52,53 This helps to improve the electronic conductivity and electrocatalytic ability of the Zn-CoP NHs. As for the P 2p fine XPS spectra, the typical peak around 130 eV is assigned to Co–P bond, while the other peak near 134 eV originates from oxidized phosphate species.…”