References
Ikawa Y, Lee K, Ao JP, Ohno Y. Two-dimensional device simulation of AlGaN/GaN heterojunction FET side-gating effect. Japanese Journal of Applied Physics 2014; 53: 114302. doi: 10.7567/JJAP.53.114302
Podolska A, Seeber RM, Mishra UK, et al. Detection of biological reactions by AlGaN/GaN biosensor. In: Proceedings of COMMAD 2012; 12–14 December 2012; Melbourne, VIC, Australia. pp. 75–76.
Mollaamin F, Monajjemi M. Graphene-based resistant sensor decorated with Mn, Co, Cu for nitric oxide detection: Langmuir adsorption & DFT method. Sensor Review 2023; 43(4): 266–279. doi:10.1108/SR-03-2023-0040
Pearton SJ, Kang BS, Kim SK, et al. GaN-based diodes and transistors for chemical, gas, biological and pressure sensing. Journal of Physics: Condensed Matter 2004; 16: R961–R994. doi: 10.1088/0953-8984/16/29/R02
Mollaamin F, Monajjemi M, Salemi S, Baei MT. A dielectric effect on normal mode analysis and symmetry of BNNT nanotube. Fullerenes, Nanotubes and Carbon Nanostructures 2011; 19(3): 182–196, doi: 10.1080/15363831003782932
Monajjemi M, Mahdavian L, Mollaamin F, Khaleghian M. Interaction of Na, Mg, Al, Si with carbon nanotube (CNT): NMR and IR study. Russian Journal of Inorganic Chemistry 2009; 54: 1465–1473. doi: 10.1134/S0036023609090216
Mollaamin F, Monajjemi M. Harmonic linear combination and normal mode analysis of semiconductor nanotubes vibrations. Journal of Computational and Theoretical Nanoscience 2015; 12(6): 1030–1039. doi: 10.1166/jctn.2015.3846
Yong Y, Jiang H, Li X, et al. The cluster-assembled nanowires based on M12N12 (M = Al and Ga) clusters as potential gas sensors for CO, NO, and NO2 detection. Physical Chemistry Chemical Physics 2016; 18(31): 21431–21441. doi: 10.1039/C6CP02931K
Monajjemi M, Farahani N, Mollaamin F. Thermodynamic study of solvent effects on nanostructures: Phosphatidylserine and phosphatidylinositol membranes. Physics and Chemistry of Liquids 2012; 50: 161–172. doi: 10.1080/00319104.2010.527842
Mollaamin F, Monajjemi M. Tribocorrosion framework of (Iron, Nickel, Zinc)-doped graphene nanosheet: New sights into sulfur dioxide and hydrogen sulfide removal using DFT/TD-DFT methods. Journal of Bio- and Tribo-Corrosion 2023; 9: 47. doi: 10.1007/s40735-023-00768-3
Monajjemi M, Najafpour J, Mollaamin F. (3,3)4 Armchair carbon nanotube in connection with PNP and NPN junctions: Ab Initio and DFT-based studies. Fullerenes Nanotubes and Carbon Nanostructures 2013; 21(3): 213–232. doi: 10.1080/1536383X.2011.597010
Monajjemi M, Baheri H, Mollaamin F. A percolation model for carbon nanotube-polymer composites using the Mandelbrot-Given curve. Journal of Structural Chemistry 2011; 52: 54–59. doi: 10.1134/S0022476611010070
Mollaamin F, Monajjemi M. Hexagonal honeycomb PL-GaN nanosheet as adsorbent surface for gas molecules sensing: A quantum chemical study. Surface Review and Letters 2023. doi: 10.1142/S0218625X24500057
Kente T, Mhlanga SD. Gallium nitride nanostructures: Synthesis, characterization and applications. Journal of Crystal Growth 2016; 444: 55–72. doi: 10.1016/j.jcrysgro.2016.03.033
Yong Y, Cui H, Zhou Q, et al. Adsorption of gas molecules on a graphitic GaN sheet and its implications for molecule sensors. RSC Advances 2017; 7(80): 51027–51035. doi: 10.1039/c7ra11106a
Khan AH, Rao MV. Gallium nitride (GaN) nanostructures and their gas sensing properties: A review. Sensors 2020; 20(13): 3889. doi: 10.3390/s20143889.
Park K, Lee J, Kim D, et al. Synthesis of polytypic gallium phosphide and gallium arsenide nanowires and their application as photodetectors. ACS Omega 2019; 4(2): 3098–3104. doi: 10.1021/acsomega.8b03548
Šetka M, Claros M, Chmela O, Vallejos S. Photoactivated materials and sensors for NO2 monitoring. Journal of Materials Chemistry C 2021; 9(47): 16804–16827. doi: 10.1039/D1TC04247E
Geng X, Liu X, Mawella-Vithanage L, et al. Photoexcited NO2 enables accelerated response and recovery kinetics in light-activated NO2 gas sensing. ACS Sensors 2021; 6: 4389–4397. doi: 10.1021/acssensors.1c01694
Shin J, Han S, Noh S, et al. Room-temperature operation of light-assisted NO2 gas sensor based on GaN nanowires and graphene. Nanotechnology 2021; 32: 505201. doi: 10.1088/1361-6528/ac2427
Pinder RW, Walker JT, Bash JO, et al. Quantifying spatial and temporal variability in atmospheric ammonia with in situ and space-based observations. Geophysical Research Letters 2011; 38: L04802. doi: 10.1029/2010GL046146
Langridge JM, Lack D, Brock CA, et al. Evolution of aerosol properties impacting visibility and direct climate forcing in an ammonia-rich urban environment. Journal of Geophysical Research: Atmospheres 2012; 117(D21): D00v11. doi: 10.1029/2011jd017116
Lamarque JF, Kyle GP, Meinshausen M, et al. Global and regional evolution of short-lived radiatively-active gases and aerosols in the representative concentration pathways. Climatic Change 2011; 109: 191–212. doi: 10.1007/s10584-011-0155-0
Liu C, Kang J, Huang ZQ, et al. Gallium nitride catalyzed the direct hydrogenation of carbon dioxide to dimethyl ether as primary product. Nature Communications 2021; 12: 2305. doi: 10.1038/s41467-021-22568-4
Zhou W, Cheng K, Kang J, et al. New horizon in C1 chemistry: Breaking the selectivity limitation in transformation of syngas and hydrogenation of CO2 into hydrocarbon chemicals and fuels. Chemical Society Reviews 2019; 48: 3193–3228. doi: 10.1039/C8CS00502H
Leonzio G. State of art and perspectives about the production of methanol, dimethyl ether and syngas by carbon dioxide hydrogenation. Journal of CO2 Utilization 2018; 27: 326–354. doi: 10.1016/j.jcou.2018.08.005
Mollaamin F, Monajjemi M. In silico-DFT investigation of nanocluster alloys of Al-(Mg, Ge, Sn) coated by nitrogen heterocyclic carbenes as corrosion inhibitors. Journal of Cluster Science 2023; 1–18. doi: 10.1007/s10876-023-02436-5
Mollaamin F, Monajjemi M. Molecular modelling framework of metal-organic clusters for conserving surfaces: Langmuir sorption through the TD-DFT/ONIOM approach. Molecular Simulation 2023; 49(4): 365–376. doi: 10.1080/08927022.2022.2159996
Singh AK, Zhuang HL, Hennig RG. Ab initio synthesis of single-layer III-V materials. Physical Review B (PRB) 2014; 89: 245431. doi: 10.1103/PhysRevB.89.245431
Dennington R, Keith TA, Millam JM. GaussView, Version 6. Semichem Inc.; 2016.
Frisch MJ, Trucks GW, Schlegel HB, et al. Gaussian 16, Revision C.01. Gaussian, Inc.; 2016.
Perdew JP, Burke K, Ernzerhof M. Generalized gradient approximation made simple. Physical Review Letters 1996; 77: 3865. doi: 10.1103/PhysRevLett.77.3865
Henkelman G, Arnaldsson A, Jónsson H. A fast and robust algorithm for Bader decomposition of charge density. Computational Materials Science 2006; 36(3): 354–360. doi: 10.1016/j.commatsci.2005.04.010
Mollaamin F, Monajjemi M. Electric and magnetic evaluation of aluminum-magnesium nanoalloy decorated with germanium through heterocyclic carbenes adsorption: A density functional theory study. Russian Journal of Physical Chemistry B 2023; 17(3): 658–672. doi: 10.1134/S1990793123030223
Mao Y, Yuan J, Zhong J. Density functional calculation of transition metal adatom adsorption on graphene. Journal of Physics: Condensed Matter 2008; 20(11): 115209.
Mollaamin F, Monajjemi M. Corrosion inhibiting by some organic heterocyclic inhibitors through Langmuir adsorption mechanism on the Al-X (X = Mg/Ga/Si) alloy surface: A study of quantum three-layer method of CAM-DFT/ONIOM. Journal of Bio- and Tribo-Corrosion 2023; 9: 33. doi: 10.1007/s40735-023-00751-y
Mollaamin F, Shahriari S, Monajjemi M, Khalaj Z. Nanocluster of aluminum lattice via organic inhibitors coating: A study of freundlich adsorption. Journal of Cluster Science 2023; 34: 1547–1562. doi: 10.1007/s10876-022-02335-1
Monajjemi M, Noei M, Mollaamin F. Design of fMet-tRNA and calculation of its bonding properties by quantum mechanics. Nucleosides, Nucleotides & Nucleic Acids 2010; 29(9): 676–683. doi: 10.1080/15257771003781642
Monajjemi M, Mollaamin F, Gholami MR, et al. Quantum chemical parameters of some organic corrosion inhibitors, pyridine, 2-picoline 4-picoline and 2,4-lutidine, adsorption at aluminum surface in hydrochloric and nitric acids and comparison between two acidic media. Main Group Metal Chemistry 2003; 26: 349–362. doi: 10.1515/MGMC.2003.26.6.349
Mollaamin F, Monajjemi M. Tailoring and functionalizing the graphitic-like GaN and GaP nanostructures as selective sen-sors for NO, NO2, and NH3 adsorbing: A DFT study. Journal of Molecular Modeling 2023; 29: 170. doi: 10.1007/s00894-023-05567-8
Shahriari S, Mollaamin F, Monajjemi M. Increasing the performance of {[(1-x-y) LiCo0.3Cu0.7] (Al and Mg doped)] O2}, xLi2MnO3, yLiCoO2 composites as cathode material in lithium-ion battery: Synthesis and characterization. Micromachines 2023; 14: 241. doi: 10.3390/mi14020241
Mollaamin F, Monajjemi M. Transition metal (X = Mn, Fe, Co, Ni, Cu, Zn)-doped graphene as gas sensor for CO2 and NO2 detection: A molecular modeling framework by DFT perspective. Journal of Molecular Modeling 2023; 29: 119. doi: 10.1007/s00894-023-05526-3
Garroway AN. Appendix K: Nuclear quadrupole resonance. In: Gibson JMD, Lockwood JR. Alternatives for Landmine Detection. Rand Corporation; 2003.
Mollaamin F. Computational methods in the drug delivery of carbon nanocarriers onto several compounds in sarraceniaceae medicinal plant as monkeypox therapy. Computation 2023; 11(4): 84. doi: 10.3390/computation11040084
Young HD, Freedman RA, Ford AL. Sears and Zemansky’s University Physics with Modern Physics, 13th ed. Addison-Wesley; 2012. p. 754.
Mollaamin F, Monajjemi M. Doping of graphene nanostructure with iron, nickel and zinc as selective detector for the toxic gas removal: A density functional theory study. C 2023; 9(1): 20. doi: 10.3390/c9010020
Zadeh MAA, Lari H, Kharghanian L, et al. Density functional theory study and anti-cancer properties of shyshaq plant: In view point of nano biotechnology. Journal of Computational and Theoretical Nanoscience 2015; 12: 4358–4367. doi: 10.1166/jctn.2015.4366
Mollaamin F, Monajjemi M. Graphene embedded with transition metals for capturing carbon dioxide: Gas detection study using QM methods. Clean Technologies 2023; 5: 403–417. doi: 10.3390/cleantechnol5010020
Ghalandari B, Monajjemi M, Mollaamin F. Theoretical investigation of carbon nanotube binding to dna in view of drug delivery. Journal of Computational and Theoretical Nanoscience 2011; 8: 1212–1219. doi: 10.1166/jctn.2011.1801
Bakhshi K, Mollaamin F, Monajjemi M. Exchange and correlation effect of hydrogen chemisorption on nano V(100) surface: A DFT study by generalized gradient approximation (GGA). Journal of Computational and Theoretical Nanoscience 2011; 8: 763–768. doi: 10.1166/jctn.2011.1750
Monajjemi M, Khaleghian M, Tadayonpour N, Mollaamin F. The effect of different solvents and temperatures on stability of single-walled carbon nanotube: A QM/MD study. International Journal of Nanoscience 2010; 9(5): 517–529. doi: 10.1142/S0219581X10007071
Khalili Hadad B, Mollaamin F, Monajjemi M. Biophysical chemistry of macrocycles for drug delivery: A theoretical study. Russian Chemical Bulletin 2011; 60: 238–241. doi: 10.1007/s11172-011-0039-5
Mollaamin F, Ilkhani A, Sakhaei N, et al. Thermodynamic and solvent effect on dynamic structures of nano bilayer-cell membrane: Hydrogen bonding study. Journal of Computational and Theoretical Nanoscience 2015; 12: 3148–3154. doi: 10.1166/jctn.2015.4092
Tahan A, Mollaamin F, Monajjemi M. Thermochemistry and NBO analysis of peptide bond: Investigation of basis sets and binding energy. Russian Journal of Physical Chemistry A 2009; 83: 587–597. doi: 10.1134/S003602440904013X
Khaleghian M, Zahmatkesh M, Mollaamin F, Monajjemi M. Investigation of solvent effects on armchair single-walled carbon nanotubes: A QM/MD study. Fullerenes, Nanotubes and Carbon Nanostructures 2011; 19: 251–261. doi: 10.1080/15363831003721757
Monajjemi M, Mollaamin F, Shojaei S. An overview on coronaviruses family from past to COVID-19: Introduce some inhibitors as antiviruses from Gillan’s plants. Biointerface Research in Applied Chemistry 2020; 3: 5575–5585. doi: 10.33263/BRIAC103.575585
Sarasia EM, Afsharnezhad S, Honarparvar B, et al. Theoretical study of solvent effect on NMR shielding tensors of luciferin derivatives. Physics and Chemistry of Liquids 2011; 49: 561–571. doi: 10.1080/00319101003698992
Monajjemi M, Baie MT, Mollaamin F. Interaction between threonine and cadmium cation in [Cd(Thr)n]2+ (n = 1–3) complexes: Density functional calculations. Bulletin of the Academy of Sciences of the USSR Division of Chemical Science 2010; 59: 886–889. doi: 10.1007/s11172-010-0181-5
Wang H, Zhang H, Liu J, et al. Hydroxyl group adsorption on GaN (0001) surface: First principles and XPS studies. Journal of Electronic Materials 2019; 48(4): 2430–2437. doi: 10.1007/s11664-019-07011-1
Li L, Fan S, Mu X, et al. Photoinduced conversion of methane into benzene over GaN nanowires. Journal of the American Chemical Society 2014; 136(22): 7793–7796. doi: 10.1021/ja5004119
Mollaamin F, Monajjemi M. Application of DFT and TD-DFT on Langmuir adsorption of nitrogen and sulfur heterocycle dopants on an aluminum surface decorated with magnesium and silicon. Computation 2023; 11: 108. doi: 10.3390/computation11060108