Two-dimensional metallic BP as anode material for lithium-ion and sodium-ion batteries with unprecedented performance

Acetylene‐Mediated Borophosphene Dirac Materials as Efficient Anode Materials for Lithium‐Ion Batteries

“…[25] The applications of orthorhombic BP as anodes in LIBs and SIBs have been explored using theoretical calculations. [26] Again, this study reinforced that monolayer of BP has a storage capacity of up to 1924 mAh g À 1 . Motivated by these exciting findings on BP, an attempt has been made in this investigation to predict the properties and potential applications of acetylene-mediated analogues.…”

“…The capabilities of BP as an anchoring material for lithium‐sulphur batteries have been studied, revealing that the orthorhombic BP has excellent electrical conductivity, moderate value of adsorption energy, and fast charge/discharge characteristics [25] . The applications of orthorhombic BP as anodes in LIBs and SIBs have been explored using theoretical calculations [26] . Again, this study reinforced that monolayer of BP has a storage capacity of up to 1924 mAh g −1 .…”

A two-dimensional metallic SnB monolayer as an anode material for non-lithium-ion batteries

“…The SnB monolayer exhibits superior cycling performance compared to the GeP 3 monolayer (2.9%), BGe monolayer (2.2%), Nb 2 S 2 C (3.5%), BP (3%), MoSSe (2.06%) and blue phosphorus (4.45%) for NIBs. 37,41,63,66–68 Moreover, the changes in the lattice constant of the SnB monolayer are 17.3% for low blue phosphorus, 4.77% for Ti 2 PTe 2 , 4.21% for V 2 S 2 O, 6.8% for V 2 CO 2 and 3.9% for V 2 CS 2 in KIBs. 41,53,69,70 For MIBs, the changes in the lattice constant of the SnB monolayer are 4–5 times lower than those of GeP 3 (3.0%) and antimonene (4%), which is also much lower than that of commercial graphite (12% for LIBs).…”

Dirac t-Boron Nitride Monolayer as an Appealing Binder-Free Anode for Alkali Metal Ion Batteries

“…As detailed in Figure a–c and Table S4 of the Supporting Information, one can appreciate that H 1 is the most energetically favorable site, whose E ads value is −1.733 eV for Li, −0.879 eV for Na, and −1.447 eV for K. The corresponding adsorption heights are 1.350, 1.920, and 2.328 Å in an increasing way, which is attributed to the rise of the AM atomic radius. These E ads ’s absolute values for specific species are smaller than those for NP (−1.901 eV for Li and −2.063 eV for Na) and Be 2 P 3 N (−1.52 eV for Na and −1.99 eV for K), but larger than those for Be 2 Zn (−0.759 eV for Li), B 2 S (−0.29 eV for Na and −0.76 eV for K), BeN 4 (−0.179 eV for K), and borophosphene (−1.06/–0.705 eV for Li, −0.68/–0.838/–0.603 eV for Na, and −1.27 eV for K) − at the same calculation level. The moderate affinity of the t -BN monolayer toward AM atoms not only suppresses the formation of adverse metallic clusters but also promotes the output voltage of the full battery system .…”

“…While single-layer graphene as a prototypical example of 2D Dirac materials exhibits the low capacities of AM atoms arising from its chemical inertness, , its massless Dirac cone structure has incited great enthusiasm in the energy storage community. In contrast to graphene, for instance, another group IV elemental monolayer silicene has been theoretically demonstrated as a potential Dirac anode despite its larger atomic weight, which delivers a high storage capacity of 954 mA h g –1 for LIBs and SIBs with acceptable migration energy barriers around 0.3 eV. , As novel 2D carbon allotropes, T-graphene and h -PAMS show Dirac-like cone characteristics below the Fermi level, in favor of their use as battery anodes with the merits of higher capacity and faster AM diffusion than graphite. − Aside from the elemental monolayers, studies on 2D binary and ternary Dirac materials as promising anode candidates have also been documented in the literature. − …”