Novel chemical sensor for cyanides: boron-doped carbon nanotubes

The Journal of Physical Chemistry. B
Yuemei ZhangChengbu Liu

Abstract

Boron-doped (B-doped) single-walled (8, 0) carbon nanotubes (SWCNTs) are investigated using density functional theory (DFT) calculations as sensor models to detect the presence of cyanides, such as hydrogen cyanide (HCN) and cyanogen chloride (CNCl). Comparing the results of the intrinsic SWCNTs with HCN and CNCl, we discover that B-doped SWCNTs present a high sensitivity to the gaseous cyanide molecules, which is indicated by optimized geometry and electronic properties of these systems. On the basis of calculated results, we call attention to the fact that B-doped SWCNTs would be potential candidates for the detection of gaseous cyanide molecules. The present results provide guidance to experimental scientists in developing CNT-based chemical sensors.

References

Jun 15, 1992·Physical Review. B, Condensed Matter·J P Perdew, Y Wang
Jan 29, 2000·Science·J KongH Dai
Oct 3, 2001·Physical Review Letters·P E LammertA Rubio
May 30, 2002·Journal of the American Chemical Society·Pavel AnzenbacherFelix N Castellano
Oct 8, 2005·Organic Letters·Massimiliano Tomasulo, Françisco M Raymo

❮ Previous
Next ❯

Citations

Apr 28, 2011·Journal of Molecular Modeling·Chanukorn TabtimsaiVithaya Ruangpornvisuti
Sep 13, 2013·Physical Chemistry Chemical Physics : PCCP·Leela S Dodda, Upakarasamy Lourderaj
Apr 3, 2014·Journal of Molecular Modeling·Meilian ZhaoYong Guo
Feb 19, 2013·Journal of Hazardous Materials·Guangqiang LiuZhenxing Cheng
Aug 26, 2015·Nature Communications·Shigeki KawaiErnst Meyer
Jan 10, 2018·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Jake WilsonAlfredo Sánchez de Merás
Feb 6, 2018·Journal of Molecular Modeling·Anurag SrivastavaSouraya Goumri-Said
Feb 18, 2020·Chemical Society Reviews·Jie DaiWei Huang
Sep 19, 2018·Chemical Reviews·Vera SchroederTimothy M Swager

❮ Previous
Next ❯

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Journal of the American Chemical Society
Pavel AnzenbacherFelix N Castellano
The Journal of Organic Chemistry
Massimiliano TomasuloFrançisco M Raymo
Physical Review Letters
Keith BradleyGeorge Grüner
© 2021 Meta ULC. All rights reserved