Experimental and theoretical investigations of functionalized boron nitride as electrode materials for Li-ion batteries

  title={Experimental and theoretical investigations of functionalized boron nitride as electrode materials for Li-ion batteries},
  author={Fan Zhang and K{\'a}roly N{\'e}meth and Javier Bare{\~n}o and Fulya Dogan and Ira D. Bloom and Leon L. Shaw},
  journal={RSC Advances},
The feasibility of synthesizing functionalized h-BN (FBN) via the reaction between molten LiOH and solid h-BN is studied for the first time and its first ever application as an electrode material in Li-ion batteries is evaluated. Density functional theory (DFT) calculations are performed to provide mechanistic understanding of the possible electrochemical reactions derived from the FBN. Various materials characterizations reveal that the melt-solid reaction can lead to exfoliation and… 
14 Citations
Silicene/Boron Nitride heterostructure for the design of highly efficient anode materials in Lithium-ion battery.
The investigated Silicene/Boron Nitride heterostructure as anode material in Lithium-ion batteries has been investigated by first-principles calculations and shows the highly enhanced thermodynamical stability compared with the pristine silicene sheet, which is promising as a good potential anodes material in LiBs.
Radical anion functionalization of two-dimensional materials as a means of engineering simultaneously high electronic and ionic conductivity solids
  • K. Németh
  • Physics, Materials Science
  • 2020
The tunability of the electronic properties of A n [(BN)2OBX3] via the cation concentration (n) allows for its application as multifunctional material in energy storage devices, simultaneously serving as cathode active species, solid electrolyte, electroconductive additive, separator, heat conductor and coating for metal anodes that enables dendrite-free plating.
Simultaneous oxygen and boron trifluoride functionalization of hexagonal boron nitride: a designer cathode material for energy storage
  • K. Németh
  • Materials Science, Physics
    Theoretical Chemistry Accounts
  • 2018
Covalent functionalization is a way to tune the electrochemical properties of hexagonal boron nitride (h-BN) monolayers. The wide bandgap insulator h-BN may become metallic conductor upon
Functionalised hexagonal boron nitride for energy conversion and storage
Energy conversion and storage materials have received wide attention as fossil fuels are gradually running out and climate change is looming. Hexagonal boron nitride (h-BN) is not usually considered
Potential of nanocages as anode electrodes in Na- and K-ion batteries
In this study, theoretical capacity and cell voltage of carbon nanocage (C80), silicon nanocage (Si80), and germanium nanocage (Ge80) are examined as anodes of batteries through theoretical methods.
Updates on the development of nanostructured transition metal nitrides for electrochemical energy storage and water splitting
There are wide interests in developing high-performance electrode materials for electrochemical energy storage and conversion devices. Among them, transition metal nitrides (TMNs) are suitable for a
Surface modification of hexagonal boron nitride nanomaterials: a review
Abstract Hexagonal boron nitride (h-BN) nanomaterials, such as boron nitride nanotubes, boron nitride nanofibers, and boron nitride nanosheets, are among the most promising inorganic nanomaterials in
Hexagonal boron nitride monolayers on metal supports: Versatile templates for atoms, molecules and nanostructures
Abstract Hexagonal boron nitride (hBN) monolayers have attracted considerable interest as atomically thin sp2-hybridized sheets that are readily synthesized on various metal supports. They complement


Oxygen radical functionalization of boron nitride nanosheets.
The influence of the functional groups grafted to the surface of the BNNSs is investigated by demonstrating the impact on mechanical properties of both noncovalent and covalent bonding at the interface between the nanofiller and polymer matrixes.
One-step exfoliation and fluorination of boron nitride nanosheets and a study of their magnetic properties.
It is confirmed that large-area and few-layer F-BNNSs were successfully produced by this method, which can be attributed to a fluorination-assisted exfoliation mechanism from the bulk h-BN in NH4F.
Stability and properties of the two-dimensional hexagonal boron nitride monolayer functionalized by hydroxyl (OH) radicals: a theoretical study
D density functional theory calculations are performed to study the functionalization of the two-dimensional hexagonal boron nitride (h-BN) sheet with hydroxyl (OH) radicals and indicate that the functionalized h-BN sheet is the most stable among all studied configurations.
Dibromocarbene Functionalization of Boron Nitride Nanosheets: Toward Band Gap Manipulation and Nanocomposite Applications
We report the covalent functionalization of exfoliated boron nitride nanosheets (BNNSs) using dibromocarbene (DBC) species. The functionalization of BNNSs is enabled as the nanosheets are utilized as
Soluble, Exfoliated Hexagonal Boron Nitride Nanosheets
Hexagonal boron nitride (h-BN), the isoelectric analogue of graphite, was functionalized using lipophilic and hydrophilic amine molecules. The functionalization induced the exfoliation of the layered
Strong oxidation resistance of atomically thin boron nitride nanosheets.
Atomic force microscopy and Raman spectroscopy analyses reveal that monolayer BN nanosheets can sustain up to 850 °C, and the starting temperature of oxygen doping/oxidation of BN Nanosheet only slightly increases with the increase of nanosheet layer and depends on heating conditions.
Functionalization and dispersion of hexagonal boron nitride (h-BN) nanosheets treated with inorganic reagents.
It is shown that h-BN preserves its hexagonal structure throughout the functionalization procedure and its exfoliation into thin platelets upon contact with solvents is probably owing to the attachment of hydrophilic functionalities.