Modeling Interactions of Iron Atoms Encapsulated in Nanotubes
Crystals, 2021 The behavior and electronic structure of the carbon and boron nitride nanotubes that interact with the iron atom were studied using the Lennard–Jones potential and hybrid discrete-continuum approach.
Mansoor H. Alshehri
doaj +1 more source
Exciton Effects in Optical Absorption of Boron-Nitride Nanotubes
, 2008 Exciton effects are studied in single-wall boron-nitride (BN) nanotubes. Linear absorption spectra are calculated with changing the chiral index of the zigzag nanotubes.
Abe +15 more
core +2 more sources
Theoretical Study of Physisorption of Nucleobases on Boron Nitride Nanotubes: A New Class of Hybrid Nano-Bio Materials [PDF]
, 2010 We investigate the adsorption of the nucleic acid bases, adenine (A), guanine (G), cytosine (C), thymine (T) and uracil (U) on the outer wall of a high curvature semiconducting single-walled boron nitride nanotube (BNNT) by first principles density ...
Akdim B +8 more
core +1 more source
Conversion from carbon nanotubes to boron nitride nanotubes and boron nitride-carbon nanotubes [PDF]
, 2019 MASTER OF ENGINEERING (EEE)
openaire +2 more sources
Advanced Functional Materials, EarlyView.Flexible piezoresistive pressure sensors underpin wearable and soft electronics. This review links sensing physics, including contact resistance modulation, quantum tunneling and percolation, to unified materials/structure design. We highlight composite and graded architectures, interfacial/porous engineering, and microstructured 3D conductive networks
Feng Luo +2 more
wiley +1 more source
Electrically Tunable Excitonic Light Emitting Diodes based on Monolayer WSe2 p-n Junctions
, 2014 Light-emitting diodes are of importance for lighting, displays, optical interconnects, logic and sensors. Hence the development of new systems that allow improvements in their efficiency, spectral properties, compactness and integrability could have ...
A Splendiani +42 more
core +1 more source
Machine Learning‐Assisted Inverse Design of Soft and Multifunctional Hybrid Liquid Metal Composites
Advanced Functional Materials, EarlyView.A machine learning framework is presented for inverse design of synthesizable multifunctional composites containing both liquid metal and solid inclusions. By integrating physics‐based modeling, data‐driven prediction, and Bayesian optimization, the approach enables intelligent design of experiments to identify optimal compositions and realize these ...
Lijun Zhou +5 more
wiley +1 more source
Graphitic-BN Based Metal-free Molecular Magnets From A First Principle Study
, 2005 We perform a first principle calculation on the electronic properties of carbon doped graphitic boron nitride graphitic BN. It was found that carbon substitution for either boron or nitrogen atom in graphitic BN can induce spontaneous magnetization ...
Chopra N G +7 more
core +1 more source
Ewald summation on a helix : a route to self-consistent charge density-functional based tight-binding objective molecular dynamics [PDF]
, 2013 We explore the generalization to the helical case of the classical Ewald method, the harbinger of all modern self-consistent treatments of waves in crystals, including ab initio electronic structure methods. Ewald-like formulas that do not rely on a unit
Aradi, B. +4 more
core +1 more source
Advanced Healthcare Materials, EarlyView.This review highlights recent advances in smart face masks that actively monitor breathing. By integrating humidity, gas, temperature, pressure, strain, and triboelectric sensors, these masks track key respiratory parameters in real time. The article summarizes sensor mechanisms, compares performance across studies, and discusses challenges and future ...
Negin Faramarzi +7 more
wiley +1 more source