Conductive Metal–Organic Frameworks for Rechargeable Lithium Batteries

Abstract

Currently, rechargeable lithium batteries are representative of high-energy-density battery systems. Nevertheless, the development of rechargeable lithium batteries is confined by numerous problems, such as anode volume expansion, dendrite growth of lithium metal, separator interface compatibility, and instability of cathode interface, leading to capacity fade and performance degradation of batteries. Since the 21st century, metal–organic frameworks (MOFs) have attracted much attention in energy-related applications owing to their ideal specific surface areas, adjustable pore structures, and targeted design functions. The insulating characteristics of traditional MOFs restrict their application in the field of electrochemistry energy storage. Recently, some teams have broken this bottleneck through the design and synthesis of electron- and proton-conductive MOFs (c-MOFs), indicating excellent charge transport properties, while the chemical and structural advantages of MOFs are still maintained. In this review, we profile the utilization of c-MOFs in several rechargeable lithium batteries such as lithium-ion batteries, Li–S batteries, and Li–air batteries. The preparation methods, conductive mechanisms, experimental and theoretical research of c-MOFs are systematically elucidated and summarized. Finally, in the field of electrochemical energy storage and conversion, challenges and opportunities can coexist.

Toward efficient electrodes for a high-performance fast-charge Li-ion battery: molecular dynamics simulation and DFT calculations

“…DFT calculations are crucial in scientific research, and can provide unobservable details, such as the lithium storage locations and the structural changes in materials during lithiation processes. 40 These calculations give valuable insights that aid in the development of efficient lithium-ion batteries and the optimization of battery performance. 12,40,41…”

“…40 These calculations give valuable insights that aid in the development of efficient lithium-ion batteries and the optimization of battery performance. 12,40,41…”

“…Quantum mechanical calculations DFT calculations are crucial in scientific research, and can provide unobservable details, such as the lithium storage locations and the structural changes in materials during lithiation processes. 40 These calculations give valuable insights that aid in the development of efficient lithium-ion batteries and the optimization of battery performance. 12,40,41 The DFT investigation of Cu-BHT MOFs as a potential cathode material for LIBs began with the determination of the most energetically stable sites for lithium atom adsorption.…”

“…40 These calculations give valuable insights that aid in the development of efficient lithium-ion batteries and the optimization of battery performance. 12,40,41 The DFT investigation of Cu-BHT MOFs as a potential cathode material for LIBs began with the determination of the most energetically stable sites for lithium atom adsorption. The Cu-BHT monolayer has a planar configuration with D 6h point group symmetry, as shown in Fig.…”

Progress and Prospect of Zn Anode Modification in Aqueous Zinc-Ion Batteries: Experimental and Theoretical Aspects

“…Among secondary batteries, lithium-ion batteries (LIBs) have been extensively used in portable electronics and electric vehicles owing to their long-term cycle and superior energy density [ 13 , 14 ]. Increases in the price of lithium resources have increased the cost of LIB production, thus limiting the application of LIBs in large-scale smart grids [ 15 ]. Zinc metal resources are more abundant in nature than lithium resources.…”