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Effect of chemical doping of boron and nitrogen on the electronic, optical, and electrochemical properties of carbon nanotubes
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TLDR
In this paper, the electronic, optical and electrochemical properties along with electronic behaviors of boron (B) and nitrogen (N) substituted Single Wall Carbon Nanotubes (SWCNTs) underlying density functional theory (DFT) simulations are discussed.About:
This article is published in Progress in Materials Science.The article was published on 2013-06-01. It has received 255 citations till now. The article focuses on the topics: Optical properties of carbon nanotubes & Carbon nanotube.read more
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Three‐Dimensional Heteroatom‐Doped Carbon Nanofiber Networks Derived from Bacterial Cellulose for Supercapacitors
TL;DR: In this article, a simple, eco-friendly, general, and effective way to fabricate 3D heteroatom-doped carbon nanofiber networks on a large scale is reported.
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Recent progress on nitrogen/carbon structures designed for use in energy and sustainability applications
TL;DR: A comprehensive overview of advances in the last half decade on state-of-the-art carbon modification with nitrogen heteroatoms can be found in this paper, where the benefits and effects of nitrogen modification for specific applications in the energy and environmental fields are reviewed.
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Nitrogen-doped carbon nanotubes and graphene composite structures for energy and catalytic applications
TL;DR: This invited feature article reviews the current research progress, emerging trends, and opening opportunities in N-doped carbon based composite structures.
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Graphene- and CNTs-based carbocatalysts in persulfates activation: Material design and catalytic mechanisms
TL;DR: In this article, a critical review on the recent practical and theoretical development in graphene and carbon nanotubes (CNTs)-based materials as carbocatalysts for the activation of peroxymonosulfate (PMS) and peroxydisulfate(PDS).
Journal ArticleDOI
Heteroatom-doped carbon dots: synthesis, characterization, properties, photoluminescence mechanism and biological applications.
Quan Xu,Tairong Kuang,Yao Liu,Lulu Cai,Xiangfang Peng,T. S. Sreeprasad,Peng Zhao,Zhiqiang Yu,Neng Li +8 more
TL;DR: This state-of-the-art review will provide a platform for understanding the intricate details of heteroatom-doped CDs, a summary of the latest progress in the field, and related applications in biology and is expected to inspire further developments in this exciting class of materials.
References
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Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI
Special points for brillouin-zone integrations
Hendrik J. Monkhorst,J.D. Pack +1 more
TL;DR: In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.
Journal ArticleDOI
Self-Consistent Equations Including Exchange and Correlation Effects
Walter Kohn,L. J. Sham +1 more
TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
Journal ArticleDOI
Helical microtubules of graphitic carbon
TL;DR: Iijima et al. as mentioned in this paper reported the preparation of a new type of finite carbon structure consisting of needle-like tubes, which were produced using an arc-discharge evaporation method similar to that used for fullerene synthesis.
Journal ArticleDOI
Inhomogeneous Electron Gas
P. C. Hohenberg,Walter Kohn +1 more
TL;DR: In this article, the ground state of an interacting electron gas in an external potential was investigated and it was proved that there exists a universal functional of the density, called F[n(mathrm{r})], independent of the potential of the electron gas.
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