Articles citing this paper
Theoretical Study of the Adsorption of Carbon Monoxide on Pristine and Silicon-Doped Boron Nitride Nanotubes
Ruoxi Wang A B and Dongju Zhang A C
+ Author Affiliations
- Author Affiliations
A Institute of Theoretical Chemistry, Key Laboratory of Colloid and Interface Chemistry, Ministry of Education, Shandong University, Jinan, 250100, China.
B Technological Department, Shandong Police College, Jinan, 250014, China.
C Corresponding author. Email: zhangdj@sdu.edu.cn
Australian Journal of Chemistry 61(12) 941-945 https://doi.org/10.1071/CH08226
Submitted: 29 May 2008 Accepted: 27 September 2008 Published: 10 December 2008
45 articles found in Crossref database.
XH3 (X=P or N) Adsorption on Pristine, Pt-Doped and Vacancy-Defective (8,8) Boron Nitride Nanotubes: DFT Calculations
Rakhshi Mahdi,
Mohsennia Mohsen, Rasa Hossein
Zeitschrift für Physikalische Chemie. 2019 233(3). p.431
Can Si-embedded boron nitride nanotubes act as a favorable metal-free catalyst for CO oxidation by N2O?
Esrafili Mehdi D.,
Saeidi Nasibeh, Nematollahi Parisa
RSC Advances. 2015 5(121). p.100290
Gas-sensing performance of BC3 nanotubes for detecting poisonous cyanogen gas: a periodic DFT approach
Rahimi Rezvan, Solimannejad Mohammad
New Journal of Chemistry. 2021 45(26). p.11574
First-principles study of CO and NO adsorption on transition metals doped (8,0) boron nitride nanotube
Xie You,
Huo Yi-Ping, Zhang Jian-Min
Applied Surface Science. 2012 258(17). p.6391
NBO, AIM, HOMO–LUMO and thermodynamic investigation of the nitrate ion adsorption on the surface of pristine, Al and Ga doped BNNTs: A DFT study
Rezaei-Sameti M., Zarei P.
Adsorption. 2018 24(8). p.757
Preparation of phosphorus-doped boron nitride and its adsorption of heavy metals from flue gas
Li Yanlong,
Li Hongxi,
Li Rundong,
Su Xin, Shen Shengqiang
Royal Society Open Science. 2020 7(8). p.200079
A comparative study of the CO oxidation reaction over pristine and C-doped boron nitride fullerene
Esrafili Mehdi D.,
Nematollahi Parisa, Nurazar Roghaye
RSC Advances. 2016 6(21). p.17172
A DFT study for adsorption of CO on Ni, Pd and Pt atoms doped (7, 0) boron nitride nanotube
Basharnavaz Hadi, Habibi-Yangjeh Aziz
Molecular Physics. 2018 116(2). p.204
Adsorption of carbon monoxide on boroxol-ring-doped zigzag boron nitride nanotube: Electronic study via DFT
Zahedi Ehsan,
Yari Maryam, Bahmanpour Hooman
The European Physical Journal Plus. 2016 131(4).
Adsorption of HCN molecules on Ni, Pd and Pt-doped (7, 0) boron nitride nanotube: a DFT study
Habibi-Yangjeh Aziz, Basharnavaz Hadi
Molecular Physics. 2018 116(10). p.1320
Toxic CO detection by B12N12 nanocluster
Beheshtian Javad,
Bagheri Zargham,
Kamfiroozi Mohammad, Ahmadi Ali
Microelectronics Journal. 2011 42(12). p.1400
A density functional theory-based analysis of the structural, topological and electronic properties of gemcitabine drug adsorption on the pyrrolidine functionalized single-walled carbon nanotube
Moradnia Heidar,
Raissi Heidar, Bakhtiari Akbar
Journal of Biomolecular Structure and Dynamics. 2019 37(10). p.2477
Carbon nanotubes doped with Ni, Pd and Pt: A density functional theory study of adsorption and sensing NO
Demir Selin, Fellah M. Ferdi
Surface Science. 2020 701 p.121689
Working Mechanism of a BC
3
Nanotube Carbon Monoxide Gas Sensor
Peyghan Ali Ahmadi,
Yourdkhani Sirous, Noei Maziar
Communications in Theoretical Physics. 2013 60(1). p.113
N2O + SO2 reaction over Si- and C-doped boron nitride nanotubes: A comparative DFT study
Esrafili Mehdi D., Saeidi Nasibeh
Applied Surface Science. 2017 403 p.43
BN-C Hybrid Nanoribbons as Gas Sensors
Darvishi Gilan Mahdi, Chegel Raad
Journal of Electronic Materials. 2018 47(2). p.1009
A first-principles study on the interaction of CO molecules with VIII transition metals-embedded graphitic carbon nitride as an excellent candidate for CO sensor
Basharnavaz Hadi,
Habibi-Yangjeh Aziz, Kamali Seyed Hossein
Physics Letters A. 2019 383(21). p.2472
Carbon monoxide adsorption on carbon atom doped perfect and Stone–Wales defect single-walled boron nitride nanotubes: a DFT investigation
Tabtimsai Chanukorn,
Nonsri Acharaphon,
Gratoo Nutthawan,
Massiri Nuttaya,
Suvanvapee Porntiva, Wanno Banchob
Monatshefte für Chemie - Chemical Monthly. 2014 145(5). p.725
First-principles study on the adsorption of hydrogen cyanide on the metal-doped (8, 0) boron nitride nanotubes
Zeng Baoli,
Li Wei,
Chen Hao, Li Guoqing
Chemical Physics Letters. 2019 730 p.513
Theoretical studies with B12N12 as a toxic gas sensor: a review
Silva Adilson Luís Pereira,
de Sousa Sousa Natanael, de Jesus Gomes Varela Júnior Jaldyr
Journal of Nanoparticle Research. 2023 25(1).
Theoretical Study of Adsorption CO Molecule on Palladium-Doped Boron Nitride Nanotubes
Sun Miao,
Xu Jing Wen,
Cui Yu,
Wu Gong Lian,
Zhang Hui, Li Ze Sheng
Advanced Materials Research. 2013 662 p.233
Monatomic reactions with single vacancy monolayer h-BN: DFT studies
Mondinos Nicholas,
Altarawneh Mohammednoor,
Amri Amun,
Hsien Liew Willey Yun,
Jai Poinern Gerrard Eddy, Jiang Zhong-Tao
RSC Advances. 2023 13(43). p.30346
A theoretical study of silicon-doped boron nitride nanotubes serving as a potential chemical sensor for hydrogen cyanide
Wang Ruoxi,
Zhang Dongju,
Liu Yongjun, Liu Chengbu
Nanotechnology. 2009 20(50). p.505704
First-principles study of SO2 molecule adsorption on the pristine and Mn-doped boron nitride nanotubes
Deng Zun-Yi,
Zhang Jian-Min, Xu Ke-Wei
Applied Surface Science. 2015 347 p.485
Assessment of drug loading and release efficiencies of zigzag (8, 0) single-walled carbon nanotube as a Bendamustine hydrochloride drug delivery system in silico: DFT approach
Deilam Mehri, Ghasemi Ashraf Sadat
Molecular Simulation. 2022 48(4). p.282
Nerve agents interacting with single wall carbon nanotubes: Density functional calculations
Ganji Masoud Darvish,
Tajbakhsh Mahmoud, Laffafchy Mozayyan
Solid State Sciences. 2010 12(9). p.1547
Adsorption properties of boroxol ring doped zigzag boron nitride nanotube toward NO molecule using DFT
Zahedi Ehsan,
Babaie Mahsa, Bahmanpour Hooman
International Journal of Modern Physics B. 2016 30(17). p.1650101
A computational study of hydrogen cyanide interaction with the pristine and B, Ga, BGa-doped of (8, 0) zigzag AlPNTs
Rezaei-Sameti M., Padervand V.
Journal of Inclusion Phenomena and Macrocyclic Chemistry. 2016 86(3-4). p.359
A computational study of adsorption H2S gas on the surface of the pristine, Al&P-doped armchair and zigzag BNNTs
Rezaei-Sameti Mahdi, Zanganeh Fatemeh
Journal of Sulfur Chemistry. 2017 38(4). p.384
Doped-SiCNT as a promising sensor for detection of CS2 molecule
Ghiassi Hamideh, Raissi Heidar
Journal of Sulfur Chemistry. 2017 38(4). p.372
Assessment of solvent effects on the interaction of Carmustine drug with the pristine and COOH-functionalized single-walled carbon nanotubes: A DFT perspective
Khorram Rabeeh,
Raissi Heidar, Morsali Ali
Journal of Molecular Liquids. 2017 240 p.87
Effects of the HCN adsorption on the structural and electronic parameters of the beryllium oxide nanotube
Marvi Mina,
Raissi Heidar, Ghiassi Hamideh
Structural Chemistry. 2016 27(2). p.557
Boron nitride nanotube based nanosensor for acetone adsorption: a DFT simulation
Ganji Masoud Darvish, Rezvani Mahyar
Journal of Molecular Modeling. 2013 19(3). p.1259
Adsorption of SO2 molecule on doped (8, 0) boron nitride nanotube: A first-principles study
Deng Zun-Yi,
Zhang Jian-Min, Xu Ke-Wei
Physica E: Low-dimensional Systems and Nanostructures. 2016 76 p.47
Response of Si- and Al-doped graphenes toward HCN: A computational study
Rastegar Somayeh F.,
Peyghan Ali Ahmadi, Hadipour Nasser L.
Applied Surface Science. 2013 265 p.412
Recent Advances in Graphene Nanophotonics (2023)
Lithium absorption on single-walled boron nitride, aluminum nitride, silicon carbide and carbon nanotubes: A first-principles study
Darvish Ganji M.,
Dalirandeh Z., Khorasani M.
Journal of Physics and Chemistry of Solids. 2016 90 p.27
Si-embedded boron-nitride nanotubes as an efficient and metal-free catalyst for NO oxidation
Esrafili Mehdi D., Saeidi Nasibeh
Superlattices and Microstructures. 2015 81 p.7
Investigation of adsorption properties of CS2 on interior and exterior surfaces of single-walled silicon-carbide nanotubes and effect of applied electric field: electronic structure, charge density and NMR studies
Ghiassi Hamideh, Raissi Heidar
RSC Advances. 2015 5(102). p.84022
Theoretical study of CO adsorption on the surface of BN, AlN, BP and AlP nanotubes
Beheshtian Javad,
Baei Mohammad T., Peyghan Ali Ahmadi
Surface Science. 2012 606(11-12). p.981
Electronic response of BC3 nanotube to CS2 molecules: DFT studies
Peyghan Ali Ahmadi, Bagheri Zargham
Computational and Theoretical Chemistry. 2013 1008 p.1
Electronic Properties of Boron and Silicon Doped (10, 0) Zigzag Single-Walled Carbon Nanotube upon Gas Molecular Adsorption: A DFT Comparative Study
Gowri sankar P. A., Udhayakumar K.
Journal of Nanomaterials. 2013 2013 p.1
The germanium-doped boron nitride nanotube serving as a potential resource for the detection of carbon monoxide and nitric oxide
Wang Ruoxi,
Zhang Dongju, Liu Chengbu
Computational Materials Science. 2014 82 p.361
DFT calculations on the catalytic oxidation of CO over Si-doped (6,0) boron nitride nanotubes
Esrafili Mehdi D., Saeidi Nasibeh
Structural Chemistry. 2016 27(2). p.595
Optical and electronic properties of SO 2 molecule adsorbed on Si-doped (8, 0) boron nitride nanotube
Guo Shuang-Shuang,
Wei Xiu-Mei,
Zhang Jian-Min,
Zhu Gang-Qiang, Guo Wan-Jin
Physica E: Low-dimensional Systems and Nanostructures. 2016 83 p.365
