Results 31 to 40 of about 5,955 (209)
Results in Materials, 2019 Ab initio calculations based on density functional theory was carried out to study the electronic properties of (3,3), (4,2), (5,2) and (6,0) boron nitride nanotubes when interacting with nickel, titanium, palladium and gold metal atoms.
K.W. Kayang +6 more
doaj +1 more source
Adsorption of Ethanol by Using BN Nanotube: A DFT Study [PDF]
International Journal of New Chemistry, 2014 Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward C2H5OH molecules by using density functional theory (DFT) calculations . It was founding that the adsorption energy(Ead) of ethanol on the pristine nanotubes is about -51 ...
Maziar Noei, Mojgan Ghaemizadeh
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Building blocks for one-dimensional van der Waals heterostructures
National Science Open, 2022 We recently demonstrated experimentally the synthesis of one-dimensional (1D) van der Waals (vdW) heterostructure, where single-crystal hexagonal boron nitride or molybdenum disulfide nanotubes seamlessly wrapped a single-walled carbon nanotube and ...
Xiang Rong, Maruyama Shigeo, Li Yan
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Boron nitride nanotubes for gene silencing
Biochimica et Biophysica Acta (BBA) - General Subjects, 2017 Non-viral gene delivery is increasingly investigated as an alternative to viral vectors due to low toxicity and immunogenicity, easy preparation, tissue specificity, and ability to transfer larger sizes of genes.In this study, boron nitride nanotubes (BNNTs) are functionalized with oligonucleotides (oligo-BNNTs).
Sen, Ozlem +4 more
openaire +3 more sources
Pyrrole Adsorption on the Surface of a BN Nanotube: A Computational Study [PDF]
International Journal of New Chemistry, 2014 : Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward pyrrole (C5H6N) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of pyrrole on ...
Maziar Noei +2 more
doaj +1 more source
Modulating Band Gap and HOCO/LUCO Energy of Boron-Nitride Nanotubes under a Uniform External Electric Field [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2017 In this study, spectroscopic properties of the single-walled boron-nitride nanotube (SWBNNT) –a semiconductor channel in molecular diodes and molecular transistors–have been investigated under field-free and various applied electric fields by first ...
Jamshid Najafpour
doaj
Advanced Functional Materials, EarlyView.A systematic review is conducted to assess the influence of electrode architecture across micro‐ to mesoscopic length scales on electron‐transfer pathways in electrocatalysis. We discuss the structure‐activity relationships in electrocatalytic applications, including resource recovery and environmental remediation, and provide cost‐effective, efficient
Manshu Zhao +6 more
wiley +1 more source
Covalent Functionalization of 2D Semiconductors: A Roadmap to Advanced Electronic Devices
Advanced Functional Materials, EarlyView.This Review presents recent advances in the covalent functionalization strategies for two‐dimensional semiconductors and their implementation in modern technologies. Layered materials are modified through diverse molecular chemistries (e.g., thiols, diazonium salts, alkyl halides, and electron‐deficient species) to tailor their surface properties ...
Ramiro Quirós‐Ovies +2 more
wiley +1 more source
Excitons in Boron Nitride Nanotubes: Dimensionality Effects [PDF]
Physical Review Letters, 2006 We show that the optical absorption spectra of boron nitride (BN) nanotubes are dominated by strongly bound excitons. Our first-principles calculations indicate that the binding energy for the first and dominant excitonic peak depends sensitively on the dimensionality of the system, varying from 0.7 eV in bulk hexagonal BN via 2.1 eV in the single ...
Wirtz L, Marini A, Rubio A
openaire +8 more sources
Advanced Materials, EarlyView.The perspective presents an integrated view of neuromorphic technologies, from device physics to real‐time applicability, while highlighting the necessity of full‐stack co‐optimization. By outlining practical hardware‐level strategies to exploit device behavior and mitigate non‐idealities, it shows pathways for building efficient, scalable, and ...
Kapil Bhardwaj +8 more
wiley +1 more source