[2] Wudl F.,
Fullerene materials, J. Mater. Chem.,
12(7): 1959-1963 (2002).
[3] Avent A., Benito A., Birkett P., Darwish A., Hitchcock P., Kroto H., LockeI., Meidine M., O'Donovan B., Prassides K.,
The structure of fullerene compounds, J. Mol. Struct.,
436: 1-9 (1997).
[4] Bürgi H.B., Blanc E., Schwarzenbach D., Liu S., Lu Y.j., Kappes M.M., Ibers J.A.,
The structure of C60: orientational disorder in the low‐temperature modification of C60, Angew. Chem., Int. Ed. Engl.,
31(5): 640-643 (1992).
[6] Baei M.T., Hashemian S., Yourdkhani S.,
Silicon-doping makes the B12N12 insulator to an n or p-semiconductor, Superlattices Microstruct.,
60: 437-442 (2013).
[8] Louis H., Isang B.B., Unimuke T.O., Gber T.E., Amodu I.O., Ikeuba A.I., Adeyinka A.S.,
Modeling of Al12N12, Mg12O12, Ca12O12, and C23N nanostructured as potential anode materials for sodium-ion battery, J. Solid State Electrochem.,
27(1): 47-59 (2023).
[9] Karimi M., Asefnejad A., Aflaki D., Surendar A., Baharifar H., Saber-Samandari S., KhandanA., Khan A., Toghraie D.,
Fabrication of shapeless scaffolds reinforced with baghdadite-magnetite nanoparticles using a 3D printer and freeze-drying technique, J. Mater. Res. Technol.,
14: 3070-3079 (2021).
[10] Liang H., Mirinejad M.S., Asefnejad A., Baharifar H., Li X., Saber-Samandari S., Toghraie D., Khandan A.,
Fabrication of tragacanthin gum-carboxymethyl chitosan bio-nanocomposite wound dressing with silver-titanium nanoparticles using freeze-drying method, Mater. Chem. Phys.,
279: 125770 (2022)
[11] Raisi A., Asefnejad A., Shahali M., Doozandeh Z., Kamyab Moghadas B., Saber-Samandari S., Khandan A.,
A soft tissue fabricated using a freeze-drying technique with carboxymethyl chitosan and nanoparticles for promoting effects on wound healing, J. nanoanalysis,
7(4):262-274 (2020).
[12] Jamnezhad S., Asefnejad A., Motififard M., Yazdekhasti H., Kolooshani A., Saber-SamandariS., Khandan A.,
Development and investigation of novel alginate-hyaluronic acid bone fillers using freeze drying technique for orthopedic field, Nanomed. Res. J.,
5(4): 306-315 (2020).
[13] Foroutan S., Hashemian M., Khosravi M., Nejad M.G., Asefnejad A., Saber-Samandari S., Khandan A.,
A Porous Sodium Alginate-CaSiO3 Polymer Reinforced with Graphene Nanosheet: Fabrication and Optimality Analysis, Fibers Polym.,
22(2): 540-549 (2021).
[14] Iranmanesh P., Ehsani A., Khademi A., Asefnejad A., Shahriari S., Soleimani M., Ghadiri Nejad M., Saber-Samandari S., Khandan A.,
Application of 3D Bioprinters for Dental Pulp Regeneration and Tissue Engineering (Porous architecture), Transp. Porous Media,
142(1): 265-293 (2022).
[15] Skrabalak S.E., Chen J., Sun Y., Lu X., Au L., Cobley C.M., Xia Y.,
Gold nanocages: synthesis, properties, and applications, Acc. Chem. Res.,
41(12): 1587-1595 (2008).
[18] Saira F., Yaqub A., Razzaq H., Sohail M.G., Saleemi S., Mumtaz M., Rafiq M.A., Qaisar S.,
Hollow nanocages for electrochemical glucose sensing: A comprehensive review, J. Mol. Struct.,
1268: 133646 (2022).
[19] Li Z., Jiao X., Li C., Chen D.,
Synthesis and application of nanocages in supercapacitors, Chem. Eng. J.,
351: 135-156 (2018).
[23] Gao F., Zhao G.-L., Yang S., Spivey J.J.,
Nitrogen-doped fullerene as a potential catalyst for hydrogen fuel cells, J. Am. Chem. Soc.,
135(9): 3315-3318 (2013).
[24] Goldshleger N.F.,
Fullerenes and fullerene-based materials in catalysis, Fullerene sci. technol.,
9(3): 255-280 (2001).
[25] Agwamba E.C., Louis H., Isang B.B., Ogunwale G.J., Ikenyirimba O.J., Adeyinka A.S.,
Pristine fullerene (C24) metals (Mo, Fe, Au) engineered nanostructured materials as an efficient electro-catalyst for hydrogen evolution reaction (HER): A density functional theory (DFT) study, Mater. Chem. Phys.,
297: 127374 (2023).
[26] Xiao P., Buijnsters J.G., Zhao Y., Yu H., Xu X., Zhu Y., Tang D., Zhu J., Zhao Z.,
Fullerene-like WS2 supported Pd catalyst for hydrogen evolution reaction, J. Catal.,
380: 215-223 (2019).
[27] Yousefi M., Rad M.S., Shakibazadeh R., Ghodrati L., Kachoie M.A.,
Simulating a heteroatomic CBN fullerene-like nanocage towards the drug delivery of fluorouracil, Mol. Simul.,
48(14): 1284-1292 (2022).
[31] Shakerzadeh E., Mirzavand H., Mahdavifar Z.,
A comparative DFT study on prospective application of C24, Si12C12, B12N12, B12P12, Al12N12, and Al12P12 nanoclusters as suitable anode materials for magnesium-ion batteries (MIBs), Phys. E: Low-Dimens. Syst. Nanostructures,
140: 115161 (2022).
[32] Kroto H.W., Heath J.R., O’Brien S.C., Curl R.F., Smalley R.E.,
C60: Buckminsterfullerene, nature,
318(6042): 162-163 (1985).
[33] Arbogast J.W., Darmanyan A.P., Foote C.S., DiederichF., Whetten R., Rubin Y., Alvarez M.M., Anz S.J.,
Photophysical properties of sixty atom carbon molecule (C60), J. Phys. Chem.,
95(1): 11-12 (1991).
[34] Tozzini V., Buda F., Fasolino A.,
Fullerene-like III− V clusters: A density functional theoryprediction, J. Phys. Chem. B,
105(50): 12477-12480 (2001).
[35] Zhao J., Ma L., Tian D., Xie R.,
Fullerene-like cage clusters from non-carbon elements, J. Comput. Theor. Nanosci.,
5(1): 7-22 (2008).
[36] Chuwkwu U.G., Louis H., Edet H.O., Unimuke T.O., Olagoke P.O., Adeyinka A.S.,
Toward site-specific interactions of n H2 (n= 1–4) with Ga12As12 nanostructured for hydrogen storage applications, Energy & Fuels,
37(2): 1353-1369 (2023).
[38] Nwobodo I.C., Louis H., Unimuke T.O., Ikenyirimba O.J., Iloanya A.C., Mathias G.E., Osabor V.N., Ahuekwe E.F., Adeyinka A.S.,
Molecular Simulation of the Interaction of Diclofenac with Halogen (F, Cl, Br)-Encapsulated Ga12As12 Nanoclusters, ACS omega,
8(20): 17538-17551 (2023).
[39] Rodríguez-Jiménez J.A., Aguilera-Granja F., Robles J., Vega A.,
On the doping of the Ga12As12 cluster with groups p and d atomic impurities, Theor. Chem. Acc.,
140(12): 160 (2021).
[40] Duraisamy P.D., Paul S.P.M., Gopalan P., Paranthaman S., Angamuthu A.,
A DFT Study of Halogen (F−, Cl−, and Br−) Encapsulated Ga12X12(X= N, P, and As) Nanocages for Sodium-Ion Batteries, J. Inorg. Organomet. Polym.,
32(11): 4173-4185 (2022).
[41] Wang J., Ma L., Zhao J., Wang G., Chen X., Bruce King R.,
Electronic and magnetic properties of manganese and iron-doped GanAsn nanocages (n= 7–12), J. Chem. Phys.,
129(4): 0044908 (2008).
[48] Weigend F.,
Accurate Coulomb-fitting basis sets for H to Rn, Phys. Chem. Chem. Phys.,
8(9): 1057-1065 (2006).
[49] Lu T., Chen F.,
Multiwfn: a multifunctional wavefunction analyzer, J. Comput.Chem.,
33(5): 580-592 (2012).
[50] Humphrey W., Dalke A., Schulten K.,
VMD: visual molecular dynamics, J. Mol. Graph.,
14(1): 33-38 (1996).
[53]O'boyle N.M., Tenderholt A.L., Langner K.M.,
Cclib: a library for package‐independent computational chemistry algorithms, J. Comput. Chem.,
29(5): 839-845 (2008).
[55] Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Scalmani G., Barone V., Mennucci B., Petersson G.A., Nakatsuji H., Caricato M., Li X., Hratchian H.P., Izmaylov A.F., Bloino J., Zheng G., Sonnenberg J.L., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Vreven T., Montgomery J.A., Jr., Peralta J.E., Ogliaro F., Bearpark M., Heyd J.J., Brothers E., KudinK.N., Staroverov V.N., Keith T., Kobayashi R., J. Normand Raghavachari K., Rendell A., Burant J.C., Iyengar S.S., Tomasi J., Cossi M., Rega N., Millam J.M., Klene M., Knox J.E., Cross J.B., Bakken V., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Martin R.L., Morokuma K., Zakrzewski V.G., Voth G.A., Salvador P., Dannenberg J.J., Dapprich S., Daniels A.D., Farkas O., Foresman J.B., Ortiz J.V., Cioslowski J., Fox D.J.,
Gaussian 09, Revision D.01, in, Gaussian, Inc., Wallingford CT, 2013.
[57] Reed A.E., Weinhold F.,
Natural localized molecular orbitals, J. Chem. Phys.,
83(4):1736-1740 (1985).
[58] Glendening E., Badenhoop J., Reed A., Carpenter J., Bohmann J., Morales C., Weinhold F.,
NBO 5.0, in, Theoretical Chemistry Institute, University of Wisconsin: Madison, WI, (2001), (2004).
[59] Parr R.G., Szentpály L.v., Liu S.,
Electrophilicity Index, J. Am. Chem. Soc.,
121(9): 1922-1924 (1999).
[61] Ranjan P., Chakraborty T.,
Theoretical Analysis of Au-Pd Nanoalloy Clusters: A DFT Study, in: Journal of Physics: Conference Series, IOP Publishing, 012008 (2020).
[62] Samanta B., Morales-García Á., Illas F., Goga N., Anta J.A., Calero S., Bieberle-Hütter A., Libisch F., Muñoz-García A.B., Pavone M., Caspary Toroker M.,
Challenges of modeling nanostructured materials for photocatalytic water splitting, Chem. Soc. Rev.,
51(9): 3794-3818 (2022).
[64]Nosaka Y.,
1.17 - Solar Cells and Photocatalysts, in: Andrews, D.L., Scholes G.D., Wiederrecht G.P. (Eds.) Comprehensive Nanoscience and Technology, Academic Press, Amsterdam,
1: 571-605 (2011).
[65] Low J., Yu J., Jaroniec M., Wageh S., Al-Ghamdi A.A.,
Heterojunction Photocatalysts,Adv. Mater.,
29(20): 1601694 (2017).