Revisit of Nitrogen Electro-Reduction on Borophene-Supported Atomic and Diatomic Transition Metals: Stability, Activity and Selectivity Improvements via Defect-Engineering.
Sign Up to like & getrecommendations! Published in 2022 at "ChemSusChem"
DOI: 10.1002/cssc.202200930
Abstract: The present work investigates the binding of atomically dispersed transition metals to the perfect and single/double vacancy (SV/DV)-containing defective β12 -borophenes and the catalytic performance of those corresponding single-atom catalysts (SACs) and diatomic catalysts (DACs)… read more here.
Keywords: borophene; reduction; metal; revisit nitrogen ... See more keywords
First principles details into the grafting of aryl radicals onto the free-standing and borophene/Ag(1 1 1) surfaces
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2021.111124
Abstract: Abstract We suspect that a possible interaction of the aryl radicals with the borophene surface is important for the stabilization and functionalization of the surface. Therefore, the grafting of multiple para-substituted aryl radicals onto the… read more here.
Keywords: aryl radicals; radicals onto; first principles; bond ... See more keywords
Velocity-determined anisotropic behaviors of RKKY interaction in 8-Pmmn borophene
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2019.165631
Abstract: Abstract As a new two-dimensional Dirac material, 8-Pmmn borophene hosts novel anisotropic and tilted massless Dirac fermions (MDFs) and has attracted increasing interest. However, the potential application of 8-Pmmn borophene in spin fields has not… read more here.
Keywords: anisotropic tilted; pmmn borophene; borophene; velocity determined ... See more keywords
A thorough study on the F-decoration of χ3 borophene and enhancement of anodic performance of Lithium-ion batteries
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2020.114343
Abstract: Abstract χ3 borophene is a promising 2D anode material in Lithium-ion batteries, but its pristine structure needs to be improved for increasing its specific capacity and Li diffusivity. For this purpose, the decoration of χ3… read more here.
Keywords: lithium ion; structure; ion batteries; borophene ... See more keywords
Magnetization, the susceptibilities and the hysteresis loops of a borophene structure
Sign Up to like & getrecommendations! Published in 2018 at "Physica E: Low-dimensional Systems and Nanostructures"
DOI: 10.1016/j.physe.2018.07.028
Abstract: Abstract The magnetic properties of borophene structure are studied for the first time by the effective-field theory with correlations. This method has been successfully used in analyzing the magnetic mechanism of graphene. The borophene consisting… read more here.
Keywords: borophene structure; borophene; hysteresis loops; magnetization ... See more keywords
Electron transport properties of boron nitride chains between two-dimensional metallic borophene electrodes
Sign Up to like & getrecommendations! Published in 2019 at "Physica E: Low-dimensional Systems and Nanostructures"
DOI: 10.1016/j.physe.2019.113565
Abstract: Abstract Recently, boron nitride (BN) chains have been made from hexagonal BN sheets. However, the BN sheet has a large band gap, which is not suitable to be used as the electrode material of BN… read more here.
Keywords: chain; boron nitride; nitride chains; chain based ... See more keywords
Adsorption of the Gas Molecules NH3, NO, NO2, and CO on Borophene
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.8b03811
Abstract: Two-dimensional materials can be utilized to detect gas molecules in low concentration due to their high surface-to-volume ratios. In this respect, we investigate in the present work recently fabricated borophene, two-dimensional B, which has buckled… read more here.
Keywords: molecules nh3; adsorption; borophene; gas ... See more keywords
Theoretical Prediction of Blue Phosphorene/Borophene Heterostructure as a Promising Anode Material for Lithium-Ion Batteries
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.8b05076
Abstract: The heterostructured electrodes assembled with various two-dimensional materials break the limitation of the restricted properties of individual building blocks and combine the advantages of single material systems. Here, we design a novel blue phosphorus (BP)/borophene… read more here.
Keywords: anode material; borophene heterostructure; ion; borophene ... See more keywords
Quasi-Freestanding Bilayer Borophene on Ag(111).
Sign Up to like & getrecommendations! Published in 2022 at "Nano letters"
DOI: 10.1021/acs.nanolett.1c05022
Abstract: The lattice structure of monolayer borophene depends sensitively on the substrate yet is metallic independent of the environment. Here, we show that bilayer borophene on Ag(111) shares the same ground state as its freestanding counterpart… read more here.
Keywords: borophene; bilayer; borophene 111; quasi freestanding ... See more keywords
Scrupulous Probing of Bifunctional Catalytic Activity of Borophene Monolayer: Mapping Reaction Coordinate with Charge Transfer
Sign Up to like & getrecommendations! Published in 2018 at "ACS Applied Energy Materials"
DOI: 10.1021/acsaem.8b00813
Abstract: We have envisaged the hydrogen evolution and oxygen evolution reactions (HER and OER) on two-dimensional (2D) noble metal free borophene monolayer based on first-principles electronic structure cal ... read more here.
Keywords: borophene; scrupulous probing; bifunctional catalytic; borophene monolayer ... See more keywords
Macroscopic Single-Phase Monolayer Borophene on Arbitrary Substrates.
Sign Up to like & getrecommendations! Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.2c03678
Abstract: A major challenge in the investigation of all 2D materials is the development of synthesis protocols and tools which would enable their large-scale production and effective manipulation. The same holds for borophene, where experiments are… read more here.
Keywords: borophene; phase monolayer; borophene arbitrary; macroscopic single ... See more keywords