Results 71 to 80 of about 5,955 (209)

Adsorption Properties of Oxygen on H-Capped (5, 5) Boron Nitride Nanotube (BNNT)- A Density Functional Theory

E-Journal of Chemistry, 2011
The density functional theory (DFT) has been used to simultaneously investigate physic/chemi-sorption properties of oxygen on the (5, 5) boron nitride nanotube (BNNT). Geometry optimizations were carried out at B3LYP/6-31G* level of theory using gaussian
Mohammad T. Baei, F. Kaveh, P. Torabi, S. Zahra Sayyad- Alangi   +3 more
doaj   +1 more source

Synergistic Catalysis for Closed‐Loop Alcohol Refining: Concurrent H2 Evolution and Selective Oxidation

EcoEnergy, EarlyView.
Photocatalytic, electrocatalytic, and photoelectrocatalytic systems exhibit a clear synergistic integration logic in closed‐loop alcohol refining—concurrently driving hydrogen evolution and selective alcohol oxidation to enable the directed conversion of alcohols into high‐value chemicals.
Wei Ren, Jinhe Li, Banghu Wei, Mohamed Hussein Abdurahman, Ahmad Zuhairi Abdullah, Xiaohui Yu, Weikang Wang, Qinqin Liu   +7 more
wiley   +1 more source

Modelling of Nickel Atoms Interacting with Single-Walled Nanotubes

Advances in Mathematical Physics, 2019
Herein, the encapsulation mechanism of nickel atoms into carbon and boron nitride nanotubes is investigated to determine the interaction energies between the nickel atom and a nanotube. Classical modelling procedures, together with the 6-12 Lennard-Jones
Mansoor H. Alshehri
doaj   +1 more source

Evaluation of Boron Nitride Nanotubes and Hexagonal Boron Nitrides As Nanocarriers for Cancer Drugs

Nanomedicine, 2017
Boron nitride nanotubes (BNNTs) and hexagonal boron nitrides (hBNs) are novel nanostructures with high mechanical strengths, large surface areas and excellent biocompatibilities. Here, the potential use of BNNTs and hBNs as nanocarriers was comparatively investigated for use with cancer drugs.Doxorubicin (Dox) and folate are used as model drugs and ...
Emanet, Melis, Sen, Ozlem, Culha, Mustafa   +2 more
openaire   +3 more sources

Near‐Infrared Light‐Driven Photocatalysis: From Advanced Light‐Harvesting Architectures to Rational Reactor Design

EcoEnergy, EarlyView.
This review systematically elucidates the regulatory strategies for NIR light, encompassing macroscopic mechanisms such as band engineering, localized surface plasmon resonance (LSPR), upconversion luminescence, and photosensitizer molecules. Furthermore, it provides an in‐depth discussion on their cutting‐edge applications in energy conversion (e.g ...
Huijuan Wang, Yongfang Sun, Hao Luo, Penghui Xu, Shaoquan Li, Yung‐Kang Peng, Xiaoyan Jin, Jianhui Jiang, Yufei Zhao   +8 more
wiley   +1 more source

Analysis of electronic structure of boron nitride nanotubes with different positions of intrinsic impurities

Journal of Microwaves, Optoelectronics and Electromagnetic Applications, 2014
The pristine boron nitride nanotubes have a large direct band gap around 5 eV. This band gap can be engineered by doping. We investigate electronic structure of the doped hexagonal boron nitride (5,5) nanotubes using the linearized augmented cylindrical ...
Fernando Gomes, Victor Dmitriev, Clerisson Nascimento   +2 more
doaj  

Low‐Dimensional Materials and Van Der Waals Heterostructures for Energy Application: A Comprehensive Review

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Low‐dimensional materials (0D, 1D, and 2D) exhibit unique electronic and physicochemical properties, enabling advanced nanoelectronic and optoelectronic devices. Mixed‐dimensional heterostructures combine these materials to enhance functionality.
Qaisar Alam, Sajjad Ali, Pir Muhammad Ismail, ABM Sharif Hossain   +3 more
wiley   +1 more source

The Birnessite Structure: A Versatile Electrode Platform for Advanced Electrochemical Energy Storage

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Birnessite attracts considerable attention for electrochemical energy storage owing to its layered structure, natural abundance, and environmentally friendliness. This review systematically summarizes its synthesis mechanisms, modification strategies, and applications across diverse energy storage systems.
Tong Wang, Heru Huang, Hao Li, Yuhang Zhuang, Mingzhe Chen, Qi Fan, Chenyin Li, Xiaohui Zhu, Hui Xia   +8 more
wiley   +1 more source

Harnessing Thin‐Film Solid‐State Electrolytes: Enabling Breakthroughs in All‐Solid‐State Batteries

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Schematic illustration highlighting the advantages of transitioning from traditional thick solid‐state electrolytes (SSEs) to thin‐film SSEs. Thinning the electrolyte enables higher ionic conductivity, reduced interfacial polarization, improved flexibility, compact electrode contact, and enhanced energy density, offering a promising pathway toward high‐
Yitao He, Haoyang Cheng, Li Wang, Xiangming He   +3 more
wiley   +1 more source

NanoTube Construct: A web tool for the digital construction of nanotubes of single-layer materials and the calculation of their atomistic descriptors powered by Enalos Cloud Platform

Computational and Structural Biotechnology Journal
NanoTube Construct is a web tool for the digital construction of nanotubes based on real and hypothetical single-layer materials including carbon-based materials such as graphene, graphane, graphyne polymorphs, graphidiyene and non-carbon materials such ...
Panagiotis D. Kolokathis, Dimitrios Zouraris, Nikolaos K. Sidiropoulos, Andreas Tsoumanis, Georgia Melagraki, Iseult Lynch, Antreas Afantitis   +6 more
doaj   +1 more source