Kroto, H. W., Heath, J. R., O’Brien, S. C., Curl, R. F. & Smalley, R. E. C60: Buckminsterfullerene. Nature 318, 162–163 (1985).
Silva, G. A. Introduction to nanotechnology and its functions to drugs. Surg. Neurol. 61, 216–220 (2004).
Hu, Y. & Niemeyer, C. M. From DNA nanotechnology to materials methods engineering. Adv. Mater. 31, 1806294 (2019).
Kalantar-Zadeh, Ok. et al. Emergence of liquid metals in nanotechnology. ACS Nano 13, 7388–7395 (2019).
Palit, S. 1-recent advances within the utility of nanotechnology in meals business and the huge imaginative and prescient for the long run. In Nanoengineering within the Beverage Trade. (eds. Grumezescu, A. M. & Holban, A. M.) 1–34 (Tutorial Press, 2020).
Ali, Z. & Ahmad, R. Nanotechnology for Water Therapy. 143–163(Springer Worldwide Publishing, Cham, 2020).
Kumar, S. et al. Nanotechnology-based biomaterials for orthopaedic functions: current advances and future prospects. Mater. Sci. Eng. C 106, 110154 (2020).
Gobre, V. V. & Tkatchenko, A. Scaling legal guidelines for van der Waals interactions in nanostructured supplies. Nat. Commun. 4, 2341 (2013).
Villagómez, C. J., Garzón, I. L. & Paz-Borbón, L. O. A primary-principles dft dispersion-corrected c60/au(111) raman research. Comput. Mater. Sci. 171, 109208 (2020).
Chen, J., Tune, D. D., Ge, Ok., Li, H. & Flavel, B. S. Back and front-junction carbon nanotube-silicon photo voltaic cells with an industrial structure. Adv. Funct. Mater. 30, 2000484 (2020).
Raimondo, M. et al. Multifunctionality of structural nanohybrids: the essential function of carbon nanotube covalent and non-covalent functionalization in enabling excessive thermal, mechanical and self-healing efficiency. Nanotechnology 31, 225708 (2020).
Lima, J., Gomes, D., Frazão, N., Soares, D. & Sarmento, R. Glyphosate adsorption on c60 fullerene in aqueous medium for water reservoir depollution. J. Mol. Mannequin. 26, 110 (2020).
Pochkaeva, E. I. et al. Fullerene derivatives with amino acids, peptides and proteins: from synthesis to biomedical utility. Prog. Stable State Ch. 57, 100255 (2020).
Wang, J. et al. Porous n-doped carbon nanoflakes supported hybridized sno2/co3o4 nanocomposites as high-performance anode for lithium-ion batteries. J. Colloid Interface Sci. 560, 546–554 (2020).
Sha, T.-D. et al. Superlubricity between a silicon tip and graphite enabled by the nanolithography-assisted nanoflakes tribo-transfer. Nanotechnology 31, 205703 (2020).
Jayabalaji, G., Ramya, L. & Meena Devi, J. Investigation on the structural, thermal and hydration properties of gold-fullerene nanocomposite. J. Chem. Sci. 132, 71 (2020).
Carnalla, S., Posada, A. & Garzón, I. L. Vibrational properties of nickel and gold clusters. Nanostructured Mater. 3, 385 (1993).
Posada-Amarillas, A. & Garzón, I. L. Vibrational evaluation of nin clusters. Phys. Rev. B 54, 10362–10365 (1996).
Maioli, P. et al. Mechanical vibrations of atomically outlined steel clusters: from nano- to molecular-size oscillators. Nano Lett. 18, 6842–6849 (2018).
Juvé, V. et al. Probing elasticity on the nanoscale: terahertz acoustic vibration of small steel nanoparticles. Nano Lett. 10, 1853–1858 (2010).
Sauceda, H. E. & Garzón, I. L. Structural willpower of steel nanoparticles from their vibrational (phonon) density of states. J. Phys. Chem. C 119, 10876–10880 (2015).
Bayle, M., Combe, N., Sangeetha, N. M., Viau, G. & Carles, R. Vibrational and digital excitations in gold nanocrystals. Nanoscale 6, 9157–9165 (2014).
Bayle, M. et al. Experimental investigation of the vibrational density of states and digital excitations in metallic nanocrystals. Phys. Rev. B 89, 195402 (2014).
Carles, R., Benzo, P., Pécassou, B. & Bonafos, C. Vibrational density of states and thermodynamics on the nanoscale:the 3d-Second transition in gold nanostructures. Sci. Rep. 6, 39164 (2016).
Roldan Cuenya, B. et al. Dimension-dependent evolution of the atomic vibrational density of states and thermodynamic properties of remoted fe nanoparticles. Phys. Rev. B 86, 165406 (2012).
Sauceda, H. E. et al. Vibrational properties of steel nanoparticles: atomistic simulation and comparability with time-resolved investigation. J. Phys. Chem. C 116, 25147–25156 (2012).
Sauceda, H. E., Pelayo, J. J., Salazar, F., Pérez, L. A. & Garzón, I. L. Vibrational spectrum, caloric curve, low-temperature warmth capability, and debye temperature of sodium clusters: the na139+ case. J. Phys. Chem. C 117, 11393–11398 (2013).
Lei, H., Li, J., Liu, Y. & Liu, X. Construction-dependent vibrational properties of metallic nanoclusters. Eur. Phys. Lett. 101, 46001 (2013).
Sauceda, H. E. & Garzón, I. L. Vibrational properties and particular warmth of core–shell ag–au icosahedral nanoparticles. Phys. Chem. Chem. Phys. 17, 28054–28059 (2015).
Malola, S., Lehtovaara, L., Enkovaara, J. & Häkkinen, H. Start of the localized floor plasmon resonance in monolayer-protected gold nanoclusters. ACS Nano 7, 10263–10270 (2013).
Fultz, B., Ahn, C. C., Alp, E. E., Sturhahn, W. & Toellner, T. S. Phonons in nanocrystalline 57fe. Phys. Rev. Lett. 79, 937–940 (1997).
Kara, A., Al-Rawi, A. N. & Rahman, T. S. Vibrational dynamics and extra entropy of multi-grain nanoparticles. J. Comput. Theor. Nanos. 1, 216–220 (2004).
Kara, A. & Rahman, T. S. Vibrational dynamics and thermodynamics of surfaces and nanostructures. Surf. Sci. Rep. 56, 159–187 (2005).
Matsko, N. L. Formation of regular floor plasmon modes in small sodium nanoparticles. Phys. Chem. Chem. Phys. 22, 13285–13291 (2020).
Sauceda, H. E., Salazar, F., Pérez, L. A. & Garzón, I. L. Dimension and form dependence of the vibrational spectrum and low-temperature particular warmth of au nanoparticles. J. Phys. Chem. C 117, 25160–25168 (2013).
Saito, M. & Miyamoto, Y. Vibration and vibronic coupling of c20 isomers: ring, bowl, and cage clusters. Phys. Rev. B 65, 165434 (2002).
Prinzbach, H. et al. C20 carbon clusters: Fullerene-boat-sheet technology, mass choice, photoelectron characterization. Chem. Eur. J. 12, 6268–6280 (2006).
Lin, F., Sørensen, E. S., Kallin, C. & Berlinsky, A. J. Robust correlation results within the fullerene c20 studied utilizing a one-band hubbard mannequin. Phys. Rev. B 76, 033414 (2007).
Han, M. J., Kim, G., Lee, J. I. & Yu, J. Competitors between structural distortion and magnetic second formation in fullerene c20. J. Chem. Phys. 130, 184107 (2009).
Jin, Y., Perera, A., Lotrich, V. F. & Bartlett, R. J. Coupled cluster geometries and energies of c20 carbon cluster isomers – a brand new benchmark research. Chem. Phys. Lett. 629, 76 – 80 (2015).
Schütt, Ok. T. et al. Schnet: a continuous-filter convolutional neural community for modeling quantum interactions. In Advances in Neural Info Processing Methods 30, 991–1001 (Curran Associates, Inc., 2017).
Schütt, Ok. T., Sauceda, H. E., Kindermans, P.-J., Tkatchenko, A. & Müller, Ok.-R. Schnet– a deep studying structure for molecules and supplies. J. Chem. Phys. 148, 241722 (2018).
Tkatchenko, A. & Scheffler, M. Correct molecular van der Waals interactions from ground-state electron density and free-atom reference knowledge. Phys. Rev. Lett. 102, 073005 (2009).
Chmiela, S. et al. Machine studying of correct energy-conserving molecular pressure fields. Sci. Adv. 3, e1603015 (2017).
Chmiela, S., Sauceda, H. E., Müller, Ok.-R. & Tkatchenko, A. In direction of actual molecular dynamics simulations with machine-learned pressure fields. Nat. Commun. 9, 3887 (2018).
Chmiela, S., Sauceda, H. E., Poltavsky, I., Müller, Ok.-R. & Tkatchenko, A. sgdml: Establishing correct and knowledge environment friendly molecular pressure fields utilizing machine studying. Comput. Phys. 240, 38 – 45 (2019).
Paulatto, L., Mauri, F. & Lazzeri, M. Anharmonic properties from a generalized third-order ab initio method: Idea and functions to graphite and graphene. Phys. Rev. B 87, 214303 (2013).
Mei, S., Maurer, L. N., Aksamija, Z. & Knezevic, I. Full-dispersion monte Carlo simulation of phonon transport in micron-sized graphene nanoribbons. J. Appl. Phys. 116, 164307 (2014).
Jorio, A., Cançado, L. G. & Malard, L. M. Vibrations in Graphene. 71–89 (Cambridge College Press, 2017).
da Silva-Araújo, J., Chacham, H. & Nunes, R. W. Hole opening in topological-defect lattices in graphene. Phys. Rev. B 81, 193405 (2010).
Diery, W., Moujaes, E. A. & Nunes, R. Nature of localized phonon modes of tilt grain boundaries in graphene. Carbon 140, 250–258 (2018).
Pool, A. J., Jain, S. Ok. & Barkema, G. T. Structural characterization of carbon nanotubes by way of the vibrational density of states. Carbon 118, 58 (2017).
Perdew, J. P., Burke, Ok. & Ernzerhof, M. Generalized gradient approximation made easy. Phys. Rev. Lett. 77, 3865–3868 (1996).
Fuentealba, P., Preuss, H., Stoll, H. & Szentpály, L. V. A correct account of core-polarization with pseudopotentials: single valence-electron alkali compounds. Chem. Phys. Lett. 89, 418–422 (1982).
TURBOMOLE V7.0 2015, a growth of College of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 19890–2007, TURBOMOLE GmbH, since 2007; http://www.turbomole.com (2007).
Haynes, W. CRC Handbook of Chemistry and Physics, 93rd Version. 100 Key Factors (Taylor & Francis, 2012).
Blanksby, S. J. & Ellison, G. B. Bond dissociation energies of natural molecules. Acc. Chem. Res. 36, 255–263 (2003).
Irikura, Ok. Ok. Experimental vibrational zero-point energies: diatomic molecules. J. Phys. Chem. Ref. Knowledge 36, 389–397 (2007).
Meilunas, R., Chang, R. P. H., Liu, S., Jensen, M. & Kappes, M. M. Infrared and Raman spectra of c60 and c70 stable movies at room temperature. J. Appl. Phys. 70, 5128–5130 (1991).
Vassallo, A. M., Pang, L. S. Ok., Cole-Clarke, P. A. & Wilson, M. A. Emission FTIR research of c60 thermal stability and oxidation. J. Am. Chem. Soc. 113, 7820–7821 (1991).
Choi, C. H., Kertesz, M. & Mihaly, L. Vibrational project of all 46 fundamentals of c60 and c606-: Scaled quantum mechanical outcomes carried out in redundant inner coordinates and in comparison with experiments. J. Phys. Chem. A 104, 102–112 (2000).
Schettino, V., Pagliai, M., Ciabini, L. & Cardini, G. The vibrational spectrum of fullerene c60. J. Phys. Chem. A 105, 11192–11196 (2001).
Beu, T. A. & Onoe, J. First-principles calculations of the vibrational spectra of one-dimensional c60 polymers. Phys. Rev. B 74, 195426 (2006).
Pedroza-Montero, J. N., Garzón, I. L. & Sauceda, H. E. Fullerene household vibrational properties (fullervibra) knowledge set. NOMAD (2021).
Liu, F., Ming, P. & Li, J. Ab initio calculation of best power and phonon instability of graphene underneath stress. Phys. Rev. B 76, 064120 (2007).