Robust Sandwiched B/TM/B Structures by Metal Intercalating into Bilayer Borophene Leading to Excellent Hydrogen Evolution Reaction

Abstract

Bilayer borophene, very recently synthesized on Ag and Cu, possesses an extremely flat large surface and excellent conductivity. The van der Waals gap of bilayer borophene can be intercalated by metal atoms, tailoring the properties of bilayer borophene. Herein, sandwiched B/TM/B (transition metal, TM = Co, Ni, Cu, Pd) is proposed as a new 2D formation with both energetic, structural, and thermal stability by TM atoms intercalated into bilayer borophene. In addition, it is a novel platform for the electrocatalytic hydrogen evolution reaction (HER). The intercalation metal atom serves as a single‐atomic catalyst. The TM is protected by outside boron layers from being corroded by acidic/alkaline solutions. B/Cux/B, B/Pdx/B, and B/Alx/B with different metal coverage exhibit defect‐independent extremely low HER free energy in the range of approximately −0.162 to 0.179, −0.134 to 0.183, and −0.082 to 0.086 eV which are comparable to the noble metal Pt. Combining excellent conduction, high structural and thermal stability, low resistance to intercalated behavior, an effortless water splitting process, excellent defect‐independent catalytic performance, cheapness and abundance of raw materials, and corrosion resistance, 2D sandwiched B/TM/B (TM = Co, Ni, Cu, Pd) is believed to be promising for electrocatalysis applications.

Ternary Penta-CoXS (X = Se and Te): 2D Monolayers with Coexistence of Antiferromagnetic, Auxetic, Photocatalytic, and Piezoelectric Features

“…Compared to three-dimensional (3D) bulks, two-dimensional (2D) multifunctional materials continue to be the focus of research because of their novel properties and diverse applications, such as spintronics, catalysis, electrochemical energy storage, photocatalysis, electronics nanodevices. , To date, inspired by the successful discovery and synthesis of graphene in 2004, many 2D multifunctional materials beyond graphene have been reported experimentally and theoretically . For example, black phosphorus, borophene, transition metal dichalcogenides (TMDs), and transition metal carbides (MXenes) have been proposed and synthesized experimentally, − especially the successful synthesis of 2D ferromagnetic materials, such as Cr 2 Ge 2 Te 6 and CrI 3 , ushering in the era of research on 2D magnetic materials for next-generation electronic and optoelectronic devices. − However, the discovery of 2D materials with the desired properties and superior performance is challenging. For example, 2D materials with intrinsic magnetism, photocatalytic, and superior piezoelectric properties are important for state-of-the-art miniaturized applications in piezoelectrics and photocatalysts for green hydrogen generation .…”

Computational understanding of the coalescence of metallic nanoparticles: a mini review

“…The properties of metallic nanoparticles are highly dependent on their shapes and size distributions, and can be modulated at the nanoscale level by tuning the nanostructures. 12–15…”

Chiral Induction in 2D Borophene Nanoplatelets through Stereoselective Boron–Sulfur Conjugation

“…Chirality is ubiquitous in nature ranging from macroscopic to microscopic systems, with implications for biological and physiological processes. − The concept of chirality has therefore infiltrated numerous areas of research including pharmaceuticals, bioengineering, agriculture and biosensing. − Due to their chiroptical activity and self-assembling capabilities, chiral inorganic nanostructures especially have been a key ingredient in optoelectronics, sensors, and enantioselective catalysis. − These biomimetic nanoparticles display both molecular and nanoscale chirality, corresponding to the geometry of surface ligands and of the nanoparticles as a whole. − By unraveling chirality-dependent interactions on the nano- and molecular scale, these developments have helped us better understand how chirality is selected in biological systems and demonstrated the potential for chiral nanostructures in life science. − Some of the widely used chiral two-dimensional (2D) materials toward this direction are graphene, boron nitride, graphitic carbon nitride, transition metal dichalcogenides, phosphorene, etc. , Borophene, a relatively newer addition to the portfolio of 2D nanomaterial, demonstrates unique chemical and metallic properties with varied structural polymorphism. − The polymorphic nature of borophene, is derived from the bonding configurations among boron atoms, which further distinguishes it from other 2D materials and allows for customization of its material properties. , One of the other interesting facts for this emerging boron allotrope is behind its anisotropic Dirac properties that are hypothesized to largely influence biological interactions. − However, imepdiment in imparting chirality to such materials, the challenge of sustainability, purity of enantiomers, solubility, and stability are growing concerns. Scientists have generally used enantioselective organic–inorganic interactions, template-induced synthetic approaches, and photon-induced methods to introduce chirality in nanomaterials. ,…”