Results 51 to 60 of about 107,974 (298)

First-principles investigation of graphitic carbon nitride monolayer with embedded Fe atom

, 2017
Density-functional theory calculations with spin-polarized generalized gradient approximation and Hubbard $U$ correction is carried out to investigate the mechanical, structural, electronic and magnetic properties of graphitic heptazine with embedded ...
Abdullahi, Yusuf Zuntu, Halim, Mohd Mahadi, Hashim, Md. Roslan, Lim, Thong Leng, Yoon, Tiem Leong   +4 more
core   +1 more source

Electrical Conductivities of Conductors, Semiconductors, and Their Mixtures at Elevated Temperatures

Advanced Engineering Materials, EarlyView.
This article presents a comprehensive review of temperature‐dependent electrical conductivity data for multiple material classes at elevated temperatures, highlighting a persistent conductivity gap between metals and semiconductors in the range of 102$\left(10\right)^{2}$– 107$\left(10\right)^{7}$ S/m. Metal–ceramic irregular metamaterials are proposed
Valentina Torres Nieto, Marcia A. Cooper
wiley   +1 more source

Development of Heavy Metal-Free Photocatalytic RhB Decomposition System Using a Biodegradable Plastic Substrate

ChemEngineering, 2021
The heavy-metal-free photocatalytic system, in which carbon nitride is coated on polylactic acid (PLA) as biodegradable plastic through a simple dip coating method, was used for dye decomposition under visible light irradiation.
Ikki Tateishi, Mai Furukawa, Hideyuki Katsumata, Satoshi Kaneco   +3 more
doaj   +1 more source

Electroactive Metal–Organic Frameworks for Electrocatalysis

Advanced Functional Materials, EarlyView.
Electrocatalysis is crucial in sustainable energy conversion as it enables efficient chemical transformations. The review discusses how metal–organic frameworks can revolutionize this field by offering tailorable structures and active site tunability, enabling efficient and selective electrocatalytic processes.
Irena Senkovska, Yutong Luo, Ruyan Zhao, Jianjun Zhang, Mingchao Wang, Xinliang Feng, Eike Brunner, Stefan Kaskel   +7 more
wiley   +1 more source

Are hemispherical caps of boron-nitride nanotubes possible?

, 2004
We report all-electron, density-functional calculations with large Gaussian polarization basis set of the recently synthesized octahedral B24N24 cage that is perfectly round by symmetry, and boron-nitride (BN) clusters that its existence might suggest ...
Andzelm, Andzelm, Becke, Blase, Blase, Brett I Dunlap, Dunlap, Dunlap, Dunlap, Dunlap, Dunlap, Dunlap, Dunlap, Eichkorn, Fowler, Fujita, Godbout, Haddon, Harrison, Haymet, Iijima, Kohn, Kroto, Mintmire, Oku, Press, Rajendra R Zope, Schmalz, Schwarz, Sun, Terrones, Thess, Vauthier, Veillard, Zhu   +34 more
core   +1 more source

Substrate-induced bandgap in graphene on hexagonal boron nitride [PDF]

, 2007
We determine the electronic structure of a graphene sheet on top of a lattice-matched hexagonal boron nitride (h-BN) substrate using ab initio density functional calculations.
Brink, Jeroen van den, Brocks, Geert, Giovannetti, Gianluca, Kelly, Paul J., Khomyakov, Petr A.   +4 more
core   +8 more sources

Half dome carbon nitride nanostructures

, 2023
Abstract We report on a new form of nanoscale carbon nitride in the shape of single layer half dome structures grown on the step edges of boron nitride sheets. The half-dome structures are formed spontaneously at high temperature in high vacuum using Fe 2 O 3
openaire   +1 more source

Supraparticles Composed of Graphitic Carbon Nitride Nanoparticles and Silica‐Supported Horseradish Peroxidase as Customizable Hybrid Catalysts for Photo‐Biocatalytic Cascade Reactions in Continuous Flow

Advanced Functional Materials, EarlyView.
Herein presented supraparticles combine the nanoparticulate photocatalyst graphitic carbon nitride with the enzyme horseradish peroxidase, which is immobilized on silica nanoparticles. In an optimized compatibility range, both catalysts operate effectively within the hybrid supraparticles and catalyze a cascade reaction consisting of the photocatalytic
Bettina Herbig, Egzon Cermjani, Doris Hanselmann, Johannes Prieschl, Angelika Schmitt, Michael S. Moritz, Christian Papp, Greta Nölke, Stefano Di Fiore, Christoph Deckers, Thomas H. Rehm, Susanne Wintzheimer   +11 more
wiley   +1 more source

Structure and energetics of carbon, hexagonal boron nitride and carbon/hexagonal boron nitride single-layer and bilayer nanoscrolls

, 2018
Single-layer and bilayer carbon and hexagonal boron nitride nanoscrolls as well as nanoscrolls made of bilayer graphene/hexagonal boron nitride heterostructure are considered.
Knizhnik, Andrey A., Lebedev, Alexander V., Lebedeva, Irina V., Lozovik, Yurii E., Poklonski, Nikolai A., Popov, Andrey M., Siahlo, Andrei I., Vyrko, Sergey A.   +7 more
core   +1 more source

Investigation of work function and chemical composition of thin films of borides and nitrides [PDF]

, 2018
Thin films of various borides, nitrides, and barium fluorides were tentatively deposited by pulsed laser deposition and by magnetron sputtering in order to develop the components of thermionic-photovoltaic devices for the high-temperature thermal to ...
Allen, Bayrak, Bañosa, Bellucci, Bertoti, Cappelli, Cappelli, Cappelli, Crociani, Datas, Hubler, Inoue, Iqbal, Jha, Laidani, Late, Long, Martinez, Nemanich, Ozensoy, Patra, Saitoh, Sinha, Wu   +23 more
core   +1 more source