سیویلیکا را در شبکه های اجتماعی دنبال نمایید.

Applying the B12N12 nanoparticle as the CO, CO2, H2O and NH3 sensor

Publish Year: 1397
Type: Journal paper
Language: English
View: 174

This Paper With 6 Page And PDF Format Ready To Download

Export:

Link to this Paper:

Document National Code:

JR_CHRL-1-1_005

Index date: 28 August 2023

Applying the B12N12 nanoparticle as the CO, CO2, H2O and NH3 sensor abstract

In this study, the various properties including the stability energies, structural and electronic aspects of the hydrazine (N2H4), carbon monoxide (CO) water (H2O) and ammonia (NH3) molecules adsorptions on the top of the boron nitride nanoparticles (BNn) were studied through the Minnesota Functionals computations, DFT/M06-2X. The calculations clarifies that the most stable adsorption configurations are those in which the oxygen, carbon, oxygen and nitrogen atoms of CO2, CO, H2O and NH3 are closed to the boron atom of the nanoparticle, respectively. The absorption energies were obtained about -0.14, -0.15, -0.87 and -1.54 eV for abosorption of CO2, CO, H2O and NH3 gasses. The geometry optimizations, energy calculations and NBO charge transfer were used to evaluate the sensing ability of BNn for different analytes. The computed density of states (DOS) clarifies that a strong orbital hybridization take place between CO2, CO, H2O and NH3 and BNn in adsorption process. Finally, it is concluded that the BNn nanoparticle has greater response selectivity toward NH3 compared to CO, CO2 and H2O

Applying the B12N12 nanoparticle as the CO, CO2, H2O and NH3 sensor Keywords:

Applying the B12N12 nanoparticle as the CO, CO2, H2O and NH3 sensor authors

Robabeh Rostamoghli

Department of Science, Payame Noor University, P. O. Box: ۱۹۳۹۵-۴۶۹۷ Tehran, Iran

Mahshad Vakili

Young Researchers and Elite club, Miyaneh Branch, Islamic Azad University, Miyaneh, Iran

Alireza Banaei

Department of Science, Payame Noor University, P. O. Box: ۱۹۳۹۵-۴۶۹۷ Tehran, Iran

Eslam Pourbasheer

Department of Chemistry, Faculty of Science, University of Mohaghegh Ardabili, P.O. Box ۱۷۹, Ardabil, Ir

Khodadad Jalalierad

Department of Science, Payame Noor University, P. O. Box: ۱۹۳۹۵-۴۶۹۷ Tehran, Iran

مراجع و منابع این Paper:

لیست زیر مراجع و منابع استفاده شده در این Paper را نمایش می دهد. این مراجع به صورت کاملا ماشینی و بر اساس هوش مصنوعی استخراج شده اند و لذا ممکن است دارای اشکالاتی باشند که به مرور زمان دقت استخراج این محتوا افزایش می یابد. مراجعی که مقالات مربوط به آنها در سیویلیکا نمایه شده و پیدا شده اند، به خود Paper لینک شده اند :
I. Torkpoor, M. Heidari Nezhad Janjanpour, N. Salehi, F. Gharibzadeh, ...
F. Gharibzadeh, S. Gohari, K. Nejati, B. Hashemzadeh, S. Mohammadiyan, ...
S. HaiJun, Thermal-conductivity and tensile-properties of BN, SiC and Ge ...
D. Golberg, Y. Bando, Octahedral boron nitride fullerenes formed by ...
H. Omidvar, S. Goodarzi, A. Seif, A.R. Azadmehr, Influence of ...
S.K. Jain, P. Srivastava Electronic and optical properties of ultrathin ...
J. Beheshtian, Z. Bagheri, M. Kamfiroozi, A. Ahmadi, J. Mol. ...
G. Seifert, E. Hernandez, Theoretical prediction of phosphorus nanotubes. Chem. ...
H.S. Wu, F.Q. Zhang, X.H. Xu, C.J. Zhang, H. Jiao, ...
Y.R. Hacohen, E. Grunbaum, R. Tenne, J.L. Hutchison, Cage structures ...
Y. Feldman, E. Wasserman, D.J. Srolovitz, R. Tenne, High-rate, gas-phase ...
C. Balasubramanian, S. Belluci, P. Castrucci, M.D. Crescenzi, S.V. Bhoraskar, ...
L. Bourgeois, Y. Bando, W.Q. Han, T. Sato, Structure of ...
D.A. Neumayer, J.G. Ekerdt, Growth of Group III Nitrides. A ...
W.H. Goh, G. Patriarche, P.L. Bonanno, S. Gautier, T. Moudakir, ...
E. Silva Pinto, R. de Paiva, L.C. de Carvalho, H.W.L. ...
N. G.Chopra, R. J. Luyken, K. Cherrey, V. H. Crespi, ...
I. Narita, T. Oku, Effects of catalytic metals for synthesis ...
S. Iijima, C. J. Brabec, A.Maiti, J. Bernholc, Structural flexibility ...
D. Golberg, Y. Bando, O. Stephan, K. Kurashima, Octahedral boron ...
D. Golberg, Y. Bando, K. Kurashima, T. Sato, Synthesis and ...
D. B. Zhang, E. Akatyeva, T. Dumitrica, Surface physics, nanoscale ...
T. Oku, A. Nishiwaki, I. Narita, M. Gonda, Formation and ...
M. Neek-Amal, J. Beheshtian, A. Sadeghi, K. Michel, F.M. Peeters, ...
D. Kohl, TOPICAL REVIEW: Function and applications of gas sensors. ...
A. Dubbe, Fundamentals of solid state ionic micro gas sensors. ...
Q. Wan, Q.H. Li, Y.J. Chen, T.H. Wang, X.L. He, ...
H. Ullah, K. Ayub, Z. Ullah, M. Hanif, R. Nawaz, ...
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, ...
S. Kozuch, J.M.L. Martin, Halogen bonds: Benchmarks and theoretical analysis. ...
M.D. Esrafili, R. Nurazar, Potential of C-doped boron nitride fullerene ...
M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, ...
F. Weinhold, C.R. Landis, Discovering Chemistry With Natural Bond Orbitals, ...
Z. Jin, Y. Su, Y. Duan, Development of a polyaniline-based ...
N. O’Boyle, A. Tenderholt and K. Langner, cclib: A library ...
Javad Beheshtian, Zargham Bagheri, Mohammad Kamfiroozi, Ali Ahmadi, Toxic CO ...
Bulat FA, Toro-Labbe A, Brinck T, Murray JS, Politzer P ...
S.S. Li, Semiconductor physical electronics, ۲nd edn. Springer, Heidelberg (۲۰۰۶) ...
نمایش کامل مراجع