All boron-based 2D material as anode material in Li-ion batteries

A review of rechargeable batteries for portable electronic devices

“…For instance, graphite is the common anode material for commercial Li‐ion batteries due to its good stability, excellent conductivity, and high Coulombic efficiency. However, the theoretical Li storage capacity of graphite anodes is only 372 mAh g −1 . Many other materials with higher Li storage capacities, such as Si (4200 mAh g −1 ), Sn (994 mAh g −1 ), SnO 2 (782 mAh g −1 ), Fe 2 O 3 (1007 mAh g −1 ), MnO 2 (1232 mAh g −1 ), Co 3 O 4 (890 mAh g −1 ), and NiO (718 mAh g −1 ), have been explored as new anode materials.…”

“…However, the theoretical Li storage capacity of graphite anodes is only 372 mAh g −1 . [61][62][63][64] Many other materials with higher Li storage capacities, such as Si (4200 mAh g −1 ), 65,66 Sn (994 mAh g −1 ), 67-69 SnO 2 (782 mAh g −1 ), 70,71 Fe 2 O 3 (1007 mAh g −1 ), 72 MnO 2 (1232 mAh g −1 ), 73 Co 3 O 4 (890 mAh g −1 ), 74 and NiO (718 mAh g −1 ), [75][76][77] have been explored as new anode materials. Similarly, traditional cathode materials (eg, Li cobalt oxide, Li iron phosphate, and Li manganese oxide) can be substituted by large-capacity materials (eg, Ni-rich layered oxides and Li-rich layered oxides) [78][79][80] or high-voltage materials (eg, polyanion oxides and spinel materials).…”

Xenes as an Emerging 2D Monoelemental Family: Fundamental Electrochemistry and Energy Applications

“…Through the above analysis, the main reasons for the attractive application prospect of Xenes in the field of electrochemistry are summarized as follows: 1) a large surface-active site density can be contributed by high surface to bulk ratios for impressive applications in the surface-involving reactions, [148] and electrode-electrolyte accessibilities can also be promoted with remarkably highmaterial utilization; [149][150][151] 2) Xenes endows a successive and shortening ion/electron channel, which can improve ion/electron conductivities [152][153][154] and secure fast reaction kinetics; [142,155] 3) the increased interlayer spacing provides enough large interspaces to buffer the volumetric expansion during electrochemical reactions; 4) considering alloying reaction mechanism of group IV and group V Xenes, they must own ultrahigh specific capacities for alkaline ion batteries; [102,153,[156][157][158] 5) Xenes with strong flexibility can self-relieve the volume expansion and structural deformation at a large degree during the electrochemical reactions; [54,159] 6) Xenes with excellent mechanical properties as protective films to cover the current collector, have enough high strength to restrain growth of metal dendrites; 7) the physicochemical properties of Xenes are easily adjusted due to the surface exposed lone pair electrons, which give them with vivid electrochemical reactivities and flexibilities of various chemical functionalities; 8) Xenes as block unites can be used to construct various fantastic micro-/ nano-structures [115,[160][161][162] for various amazing applications; 9) relatively simple atomic arrangement, which enables easy investigation and modeling for exploring the novel mechanism in the related application. [26,163] In summary, Xenes are considered to be the star material in future electrochemical applications with high capacity, high speed, high safety, and flexibility due to its unique structure, electronic and other characteristics.…”

Unusual Enhancement of the Adsorption Energies of Sodium and Potassium in Sulfur−Nitrogen and Silicon−Boron Codoped Graphene

“…5−9 A large number of theoretical investigations have been devoted to understanding the interaction between lithium and graphene, 10−18 as well as with sulfur, 19 fullerenes, 20 transition-metal dichalgogenides, 21 or two-dimensional boron materials. 22 And this task has not been easy because the interaction between carbon materials and alkalies is affected by the self-interaction error when using density functional theory. 23−27 For example, it is difficult to obtain a reasonable picture with the most popular density functionals even for the benzene-alkali systems.…”

“…23−27 For example, it is difficult to obtain a reasonable picture with the most popular density functionals even for the benzene-alkali systems. 22,23 Nevertheless, theoretical calculations have been very useful to shed light into the chemistry behind alkali-based secondary batteries. 10−18 Recently, we studied the effect of dual doping on the adsorption of lithium onto mono (X) and dual-doped (XY) graphene, where X = B, N, O; Y = Al, Si, P, S. 28 Interestingly, we found that for all dual-doped graphene (DDG) systems, the clustering of lithium is inhibited.…”