Atomically Precise Bottom-Up Synthesis of h-BNC: Graphene Doped with h-BN Nanoclusters

Abstract

Monolayer hexagonal boron–nitrogen–carbon (h-BNC) is considered a prominent candidate for the next generation of semiconductor electronic devices. Nevertheless, experimental evidence of h-BNC formation is limited, including a detailed study of its morphological and electronic properties. Here, successful growth of h-BNC from an unexplored single molecular precursor (hexamethyl borazine, C6H18B3N3) using a conventional CVD approach on Ir(111) is reported. The conformation structure of the monolayer and its correlation with the local electronic properties are discussed based on scanning tunneling microscopy/spectroscopy (STM/STS) and X-ray photoelectron spectroscopy (XPS) results. The results show an h-BNC structure that can be described as BN-doped graphene since the moiré lattice parameter is preserved along with the alloy. This BN-doped cluster, renamed as h-BN “nanodonuts” according to the electronic density exhibited in STM images, have a tendency to place specific positions within the moiré superstructure, and it is constituted by at least (BN)8 units arranged in a 6-fold BN rings conformation, as evidenced by simulation of STM images based on density functional theory (DFT). For a BN concentration of about 17%, a band gap between 1.4 and 1.6 eV was determined. The versatility of the novel molecular precursor is proven by the growth of a high-quality h-BN monolayer on Rh(111).

Towards Integration of Two-Dimensional Hexagonal Boron Nitride (2D h-BN) in Energy Conversion and Storage Devices

“…Depending on the type of external chemical species on 2D h-BN lattice, the defect/dopant energy states are located either close to the HOMO (acceptors) or LUMO (donors). Hence, the 2D h-BN can be converted to a synthetic semiconductor by controlled doping, defect engineering, and grafting functional groups, commonly based on oxygen [28,29] or carbon [5,30]. The high intrinsic mechanical strength of 2D h-BN followed by enhanced conductivity through functionalization could be used to stabilize different commercial battery electrolytes or membranes in fuel cells.…”

Our Most Downloaded Papers Published in 2021

“…The former builds on the rich history of film deposition methods, with an excellent report on cobalt metal ALD 2 also making our list as well as the growth of hexagonal boron−nitrogen−carbon from hexamethyl borazine. 3 Rounding out the papers highlighting material synthesis is actually a molecular dynamics study of the binding properties of alkylammonium ligands to the surfaces of CsPbBr 3 nanocrystals, with potential to aid in the design of cationic ligands that would make these materials more robust. Novel synthesis also contributes heavily to the second grouping of articles, those on porous materials (Table 2).…”

“…A number of the top 20 papers focused on material synthesis (Table ). − This emphasis is not new for the journal, but the material classes represented in these manuscripts are broader than in years past. They included metal oxides ranging from TiO 2 prepared by atomic layer deposition (ALD) to ternary oxides and high entropy oxide systems .…”

“…The latter two reflect a growing interest in high-quality synthetic strategies for materials with increasingly complex compositions. The former builds on the rich history of film deposition methods, with an excellent report on cobalt metal ALD also making our list as well as the growth of hexagonal boron–nitrogen–carbon from hexamethyl borazine . Rounding out the papers highlighting material synthesis is actually a molecular dynamics study of the binding properties of alkylammonium ligands to the surfaces of CsPbBr 3 nanocrystals, with potential to aid in the design of cationic ligands that would make these materials more robust …”

A h-BN nanoháló alkalmazása molekulaadszorpciós és fémkatalizált folyamatokban

“…van der Waals (vdW) heterostruktúrákat pl. garfén/h-BN/Rh (111) próbálunk létrehozni [106][107][108].…”