Harnessing the Defects at Hetero‐Interface of Transition Metal Compounds for Advanced Charge Storage: A Review

Abstract

The ability of transition metal compounds (TMCs; e.g., transition metal oxides, transition metal dichalcogenides) to achieve maximum energy and power density is undermined by their marginal electrical and ionic conductivity. There has been rapidly growing interest in a paradigm enabled by the construction of heterostructured TMCs over the past decades because it can increase the charge transport and storage capabilities of TMC‐based electrodes. The introduction of defects is a critical tool that allows the manipulation of heterostructures by altering the electronic structure and stress field. In this way, the electrochemical performance of the material can be optimized. Herein, recent progress in the development of heterostructured TMCs from the perspective of defects is comprehensively discussed. It is emphasized the mechanisms by which defects influence the electrochemical performance of heterostructures and effective strategies to incorporate the 0D to 2D defects (vacancies, elemental doping, lateral hetero‐interface, lattice mismatch, etc.) around the hetero‐interface, which is a focus that differs from previous reviews of heterostructured TMCs. Related problems and future directions in the defect chemistry of heterostructured TMCs are also discussed. This review highlights the significance of defects for guiding the rational design of TMC electrodes for use in advanced energy storage devices.

Novel Ni–Ge–P anodes for lithium-ion batteries with enhanced reversibility and reduced redox potential

“…According to previous reports, the heterojunction helps the Li-ion diffusion, thus improving the electrochemical performance. 42–45…”

“…According to previous reports, the heterojunction helps the Li-ion diffusion, thus improving the electrochemical performance. [42][43][44][45] To evaluate the electrochemical properties of Ni 2 P and NiGe 0.5 P 0.5 /Ni 2 Ge 0.5 P 0.5 , their Li-storage properties were tested using 1 M LiPF 6 in EC : DMC (1 : 1 vol% with 5% FEC) as the electrolyte. As shown in Fig.…”

Accumulative Delocalized Mo 4d Electrons to Bound the Volume Expansion and Accelerate Kinetics in Mo6S8 Cathode for High-Performance Aqueous Cu2+ Storage

“…Zhao et al reported highly designed composite engineering as a poly­(Li 2 S 6 -random-(1,3-diisopropenylbenzene)) copolymer activated by 4-(3-butyl-1-imidazolio)-1-butanesulfoni ionic liquid, which initiated fast aqueous Zn-ion storage in a sulfur cathode with a long operating lifetime . Intuitively, to attain structural stability, the mechanical property of mesoscopic units should be optimized, and it is difficult to establish a connection with the properties of the electronic structure. , However, from a fundamental view, the electronic structures determine the physical and chemical properties of host materials, deeply affecting the multivalent ion migration and charge transfer in redox processes. , Moreover, the accommodation of multivalent ions seemingly inevitably causes the inherent bonding structure in the host material to weaken and the chemical bonds to stretch, resulting in lattice expansion and narrowing of ion channels in the material. − Therefore, a plausible mechanism is universally recognized that accounts for poor structural stability and sluggish ion migration to the anachronistic evolution of the electronic structure and chemical bonding in the host unit, while the positive and direct relevance of intrinsic electronic structure evolution during the redox mechanism for promoting multivalent-ion storage have never been proposed and demonstrated.…”

A theoretical study on the line defects in β12-borophene: enhanced direct-current and alternating-current conductances

“…[16][17][18] These two kinds of line defects in h-BN, phosphorene, TMDs and related lateral heterostructures have been extensively investigated. [19][20][21][22][23][24][25] It is well known that, different from graphene, there exist many allotropes for borophene, including triangular, b 12 -, w 3and w 6 -borophenes. [26][27][28][29] The atomic structures of the line defects in w 3 -borophene/graphene, w 6 -borophene/h-BN and triangular, b 12 -or w 3 -borophene/WTe 2 lateral heterostructures have been discussed.…”

“…16–18 These two kinds of line defects in h-BN, phosphorene, TMDs and related lateral heterostructures have been extensively investigated. 19–25…”