Results 51 to 60 of about 4,577 (215)

DFT Study on Structural and Mechanical Properties of Single-walled Carbon and Boron Nitride Nanotubes Functionalized with Carbenes [PDF]

Журнал нано- та електронної фізики, 2016
This paper presents quantum chemistry study on structural and mechanical properties of a series of single-walled carbon nanotubes (SWCNTs) and boron nitride nanotubes (BNNTs) functionalized with carbenes.
I.K. Petrushenko
doaj   +1 more source

Flexoelectricity in Photoconversion: Fundamentals, Materials, and Outlooks

Advanced Science, EarlyView.
Mechanical bending of a flexible cantilever induces a strain gradient in the photoactive material. The resulting flexoelectric field couples with photovoltaic and photoconductive effects, modulating charge generation, separation, and collection. A comparative analysis of oxide perovskites, halide perovskites, and two‐dimensional materials is presented,
Xiang Huang, Feng Li, Rongkun Zheng
wiley   +1 more source

From Materials to Systems: Challenges and Solutions for Fast‐Charge/Discharge Na‐Ion Batteries

Advanced Energy Materials, EarlyView.
This review systematically analyzes the key characteristics limiting the fast‐charge/discharge capability of Na‐ion batteries (SIBs) from a multi‐scale perspective encompassing electrode materials, the electrode‐electrolyte interface, and the system. Furthermore, it presents practical solution strategies for the fundamental issues arising at each scale,
Bonyoung Ku, Sangbin Park, Sunha Hwang, Sunghyun Lim, Won‐Sub Yoon, Jongsoon Kim   +5 more
wiley   +1 more source

Deciphering Intricacies in Directional CO2 Conversion From Electrolysis to CO2 Batteries

Advanced Energy Materials, EarlyView.
This review will delve into the inherent connections and distinctions of CO2‐directed conversion in ECO2RR and CO2 batteries, in terms of product types, catalyst selection, catalytic mechanisms, and electrochemical performances, while proposing a benchmarking framework for the evaluation of CO2 batteries and innovative CO2 battery configurations for ...
Changfan Xu, Huaping Zhao, Lizhuang Chen, Weidong Shi, Guosheng Shao, Yong Lei   +5 more
wiley   +1 more source

Internal Electric Field‐Guided, Low‐Adsorption Ferroelectric Anode Protective Layers for Sustainable Suppression of Polysulfide Side Reactions in Lithium–Sulfur Batteries

Advanced Energy Materials, EarlyView.
A positively polarized ferroelectric β‐pvdf layer incorporating fluorinated boron nitride nanosheets (PPFBN) establishes a strong internal field that promotes Li+ transport toward the anode while suppressing the migration of polysulfide anions. In addition, its intrinsically low polysulfide affinity helps preserve protective‐layer functionality ...
Daehun Han, Hyerim Jang, Junyoung Heo, Kyungjun Kim, Hawon Gu, Jun‐Woo Park, Sang‐Min Lee   +6 more
wiley   +1 more source

Neurovascular coupling in bone regeneration: Mechanisms, advanced biomaterials and challenges

BMEMat, EarlyView.
This figure illustrates various material strategies for neurovascularized bone regeneration, including electroactive scaffolds, ion‐loaded materials, drug delivery systems, surface modifications, cells/cell products, growth factors, and peptides. These approaches aim to synergistically promote the regeneration of neural, vascular, and bone tissues ...
Yixin Ma, Nan Jiang, Liyuan Chen, He Zhang, Xinjia Cai, Karan Gulati, Danqing He, Zhigang Cai, Yan Liu   +8 more
wiley   +1 more source

Joining between Boron Nitride Nanocones and Nanotubes

Advances in Mathematical Physics, 2020
Different nanostructures of boron nitride have been observed experimentally such as fullerenes, tubes, cones, and graphene. They have received much attention due to their physical, chemical, and electronic properties that lead them to numerous ...
Nawa Alshammari
doaj   +1 more source

Methyl Acetylene Detection by BN Nanotube: DFT Studies [PDF]

International Journal of New Chemistry, 2014
: Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward (C3H4) 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 methylacetylene (C3H4)
Maziar Noei, Ali Moalla
doaj   +1 more source

Folate Functionalized Boron Nitride Nanotubes and their Selective Uptake by Glioblastoma Multiforme Cells: Implications for their Use as Boron Carriers in Clinical Boron Neutron Capture Therapy

Nanoscale Research Letters, 2008
Boron neutron capture therapy (BNCT) is increasingly being used in the treatment of several aggressive cancers, including cerebral glioblastoma multiforme.
Ciofani Gianni, Raffa Vittoria, Menciassi Arianna, Cuschieri Alfred   +3 more
doaj   +1 more source

Adsorption Investigation of Boron Nitride Nanoparticle as Biodegradable Drug Delivery Carriers for the Mercaptopurine Anti-cancer Drug by Density Functional Theory [PDF]

Journal of Sciences, Islamic Republic of Iran
Cancer is one of the most common diseases that affects many people around the world, and one of the challenges of the scientific community in dealing with cancer is to deliver drugs to cancerous tumors.
Nasrin Masnabadi, Marjaneh Samadizadeh, Ladan Sardarzadeh   +2 more
doaj   +1 more source