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Vol 16, No 5 (2025) Bridging accuracy and efficiency: assessing universal ML potentials for niobium-oxygen clusters Abstract  similar documents
Ilya Popov, Albina Valeeva, Andrey Enyashin
"... niobium oxide clusters (NbnOm, n≤6, m≤6) as a challenging test case. The Nb‑O system is very well suited ..."
 
Vol 16, No 5 (2025) Bridging accuracy and efficiency: assessing universal ML potentials for niobiumoxygen clusters Abstract  PDF (Eng)  similar documents
I. S. Popov, A. A. Valeeva, A. N. Enyashin
"... niobium oxide clusters (NbnOm, n ≤ 6, m ≤ 6) as a challenging test case. The Nb–O system is very well ..."
 
Vol 12, No 5 (2021) Structural and energetic analysis of cyclic peptide-gold nano-drug delivery system: a DFT study Abstract  PDF (Eng)  similar documents
B. Khoshbayan, A. Morsali, M. R. Bozorgmehr, S. A. Beyramabad
"... By applying cyclooctaglycine model for cyclic peptide (CP) and cluster Au6 model for gold ..."
 
Vol 8, No 5 (2017) Universal mechanism of tetrahedral metal cluster formation in structures with breathing pyrochlore sublattices Abstract  PDF (Eng)  similar documents
M. V. Talanov, V. M. Talano
"... A universal mechanism of tetrahedral metal cluster formation in crystal with geometrically ..."
 
Vol 5, No 1 (2014) Carbon encapsulation of magnetic metal nanoparticles: correlation between nanoscale structure of carbon matrix and electromagnetic properties Abstract  PDF (Eng)  similar documents
S. V. Kozyrev, V. I. Ivanov-Omskii, S. G. Yastrebov, T. K. Zvonareva, M. S. Chekulaev, A. V. Siklitskaya
"... of Co-containing clusters having various shapes. Because of property of conductive flakes to absorb ..."
 
Vol 5, No 1 (2014) Sensor properties of carboxyl-modifies carbon nanotubes Abstract  PDF (Eng)  similar documents
N. P. Polikarpova, I. V. Zaporotskova, D. E. Vilkeeva, D. I. Polikarpov
"... the framework of the molecular cluster model and DFT method. ..."
 
Vol 16, No 6 (2025) Defective Aluminum Nitride Monolayer as Electrode Material for Supercapacitor Applications: A DFT Study Abstract  similar documents
Shamsuddin Ahmad, Md. Mahfoozul Haque, Zaheer Abbas, Md. Shahzad Khan
 
Vol 16, No 6 (2025) Defective Aluminum Nitride Monolayer as Electrode Material for Supercapacitor Applications: A DFT Study Abstract  similar documents
Shamsuddin Ahmad, Md. Mahfoozul Haque, Zaheer Abbas, Md. Shahzad Khan
 
Vol 16, No 5 (2025) GdI3 fullerenes: a DFT study of structural and electronic properties Abstract  PDF (Eng)  similar documents
A. N. Enyashin
 
Vol 2, No 3 (2011) Planar flows in nanoscale regions Abstract  PDF (Eng)  similar documents
S. A. Chivilikhin, I. Yu. Popov, V. V. Gusarov
 
Vol 8, No 4 (2017) The XPS investigations of the surface composition of nanoscale films formed by thermal oxidation of VxOy/InP heterostructures Abstract  PDF (Eng)  similar documents
B. V. Sladkopevtcev, E. V. Zolotukhina, E. V. Tomina, I. Ya. Mittova
 
Vol 11, No 1 (2020) Electron transport through nanosystems driven by pseudo-Gaussian well scattering Abstract  PDF (Eng)  similar documents
Felix Iacob
 
Vol 8, No 4 (2017) Niobium-doped titanium dioxide nanoparticles for electron transport layers in perovskite solar cells Abstract  PDF (Eng)  similar documents
M. F. Vildanova, S. S. Kozlov, A. B. Nikolskaia, O. I. Shevaleevskiy, N. A. Tsvetkov, O. V. Alexeeva, L. L. Larina
 
Vol 3, No 6 (2012) Adiabatic and vertical ionization potentials of single-walled carbon nanotubes Abstract  similar documents
I. K. Petrushenko, N. A. Ivanov
"... (SWNT) were calculated by the DFT method. The changes of ionization potentials of structures ..."
 
Vol 9, No 1 (2018) Formation of the nanoscale contacts structure based on cross-junction of carbon nanotubes for the study of organic materials Abstract  PDF (Eng)  similar documents
Yu. A. Polikarpov, A. V. Romashkin, V. A. Petukhov, V. K. Nevolin
"... of the proposed technique for the nanoscale contacts formation based on the cross-junction of CNTs in various ..."
 
Vol 5, No 4 (2014) Chlorgraphynes: formation path, structure and electronic properties Abstract  PDF (Eng)  similar documents
A. L. Ivanovskii, A. N. Enyashin
"... ) with variable Cl/C stoichiometry may be expected. Here, employing DFT band structure calculations, a series ..."
 
Vol 16, No 6 (2025) Defective aluminum nitride monolayer as electrode material for supercapacitor applications: a DFT study Abstract  PDF (Eng)  similar documents
Shamsuddin Ahmad, Md. Mahfoozul Haque, Zaheer Abbas, Md. Shahzad Khan
 
Vol 7, No 6 (2016) High-temperature superconductivity: From macro- to nanoscale structures Abstract  PDF (Eng)  similar documents
A. N. Kovalenko
"... formation are associated with the use of nanoscale structures and nanoparticles of conductors ..."
 
Vol 11, No 3 (2020) High harmonic generation by an atom confined in nanoscale cavity Abstract  PDF (Eng)  similar documents
S. Z. Rakhmanov, O. V. Karpova, F. S. Khashimova, B. Kh. Eshchanov
 
Vol 16, No 4 (2025) Half-metallic dichalcogenide doped with a transition metal for selective gas adsorption Abstract  PDF (Eng)  similar documents
A. I. Ayesh
"... to their impact on the greenhouse effect as well as climate change. Density functional theory (DFT) and first ..."
 
Vol 12, No 2 (2021) A quantum chemical study on the magnetic nanocarrier-tirapazamine drug delivery system Abstract  PDF (Eng)  similar documents
S. Avarand, A. Morsali, M. M. Heravi, S. А. Beyramabadi
"... nanoparticle Fe6(OH)18(H2O)6 (MNP) have been examined by using density functional theory (DFT). Important ..."
 
Vol 4, No 2 (2013) Effect of oxide composition (V2O5+Al2O3) via gas phase on the thermal oxidation of InP Abstract  PDF (Eng)  similar documents
B. V. Sladkopevtcev, N. N. Tretyakov, A. I. Dontsov, E. V. Tomina, I. Ya. Mittova
"... on the thermal oxidation of InP have been studied. The area of negative deviation of nanoscale oxide film ..."
 
Vol 2, No 4 (2011) Evaluation criteria of energy properties of surface of nanomaterials Abstract  similar documents
M. A. Frolova, A. S. Tutygin, A. M. Aizenstadt, V. S. Lesovik, T. A. Makhova, T. A. Pospelova
 
Vol 11, No 1 (2020) Modification of nanoscale thermal oxide films formed on indium phosphide under the influence of tin dioxide Abstract  PDF (Eng)  similar documents
I. Ya. Mittova, V. F. Kostryukov, N. A. Ilyasova, B. V. Sladkopevtsev, A. A. Samsonov
"... as a modifier of their structure and properties. SnO2 provides the formation of nanoscale films ..."
 
Vol 6, No 4 (2015) Structural hierarchy of NH4V3O7 particles prepared under hydrothermal conditions Abstract  PDF (Eng)  similar documents
G. S. Zakharova, Y. Liu, I. S. Popov, A. N. Enyashin
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Quantum-chemical study of carbon nanotubes interaction with contaminants of petroleum, oil and lubricants Abstract  PDF (Eng)  similar documents
I. Arkharova, I. Zaporotskova
 
Vol 16, No 3 (2025) Boron doped small fullerenes C20, C24, C28 as a basis for the formation of heterostructures Abstract  PDF (Eng)  similar documents
A. R. El Zanin, S. V. Boroznin, I. V. Zaporotskova
"... C20, C24, C28 were investigated using density functional theory (DFT) methods. Average bonds lengths ..."
 
Vol 10, No 4 (2019) Thermodynamics of H–T phase transition in MoS2 single layer Abstract  PDF (Eng)  similar documents
I. S. Popov, A. N. Enyashin
 
Vol 14, No 4 (2023) Transport properties of GaAs Co-doped H-passivated low-buckled and high-buckled zigzag silicene nanoribbon two probe devices Abstract  PDF (Eng)  similar documents
A. N. Naqash, K. A. Shah, J. A. Sheikh, B. Kumbhani, S.M.A. Andrabi
 
Vol 14, No 4 (2023) Transport properties of GaAs Co-doped H-passivated low-buckled and high-buckled zigzag silicene nanoribbon two probe devices Abstract  PDF (Eng)  similar documents
A. N. Naqash, K. A. Shah, J. A. Sheikh, B. Kumbhani, S.M.A. Andrabi
 
Vol 15, No 3 (2024) Investigating the sensing performance of silicene nanoribbon towards methanol and ethanol molecules: A computational study Abstract  PDF (Eng)  similar documents
Sh. Showket, Kh. A. Shah, Gh. N. Dar, M. A. Andrabi
 
Vol 5, No 5 (2014) Nanoscale reduced-graphene-oxide origin of shungite in light of neutron scattering Abstract  PDF (Eng)  similar documents
E. F. Sheka, N. N. Rozhkova, K. Hołderna-Natkaniec, I. Natkaniec
 
Vol 9, No 5 (2018) Nanoscale architecture of graphene oxide membranes for improving dehumidification performance Abstract  PDF (Eng)  similar documents
E. A. Chernova, D. I. Petukhov, O. O. Kapitanova, O. V. Boytsova, A. V. Lukashin, A. A. Eliseev
 
Vol 15, No 2 (2024) Ultrasonic-assisted hydrothermal synthesis of nanoscale double ceric phosphates Abstract  PDF (Eng)  similar documents
T. O. Kozlova, E. D. Sheichenko, D. N. Vasilyeva, D. A. Kozlov, I. V. Kolesnik, I. V. Tronev, M. A. Teplonogova, A. E. Baranchikov, V. K. Ivanov
"... -microwave treatment resulted in the formation of nanoscale NH4Ce2(PO4)3 or KCe2(PO4)3 phases. The sun ..."
 
Vol 14, No 3 (2023) Single-step lithography-free fabrication of nanoscale broadband radiation sources Abstract  PDF (Eng)  similar documents
E. I. Ageev, S. V. Koromyslov, M. A. Gremilov, D. V. Danilov, E. A. Petrova, I. I. Shishkin, D. A. Zuev
 
Vol 16, No 6 (2025) UV-tuning the redox properties of nanoscale cerium dioxide and its enzyme conjugates Abstract  PDF (Eng)  similar documents
M. M. Sozarukova, A. D. Filippova, D.-M. V. Ratova, I. V. Mikheev, E. V. Proskurnina, A. E. Baranchikov, V. K. Ivanov
 
Vol 16, No 6 (2025) Effect of nanoscale water media confinement on the approach curve in SICM Abstract  PDF (Eng)  similar documents
S. Yu. Lukashenko, O. M. Gorbenko, M. L. Felshtyn, I. D. Sapozhnikov, S. V. Pichakhchi, M. V. Zhukov, A. O. Golubok
 
Vol 16, No 6 (2025) UV-tuning the redox properties of nanoscale cerium dioxide and its enzyme conjugates Abstract  similar documents
Madina M. Sozarukova, Arina D. Filippova, Daria-Maria V. Ratova, Ivan V. Mikheev, Elena V. Proskurnina, Alexander E. Baranchikov, Vladimir K. Ivanov
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Investigation of the sorption properties of carbon nanotubes with different boron impurity contents Abstract  PDF (Eng)  similar documents
S. V. Boroznin, I. V. Zaporotskova, N. P. Polikarpova
"... the framework of an ionic-built covalent-cyclic cluster model and an appropriately modified MNDO quantum ..."
 
Vol 3, No 1 (2012) Universal interatomic potential for pure metals Abstract  similar documents
V. E. Zalizniak, O. A. Zolotov
 
Vol 9, No 1 (2018) Sensitivity of carboxyl-modified carbon nanotubes to alkaline metals Abstract  PDF (Eng)  similar documents
N. P. Boroznina, I. V. Zaporotskova, S. V. Boroznin
"... . The simulation has been carried out using the molecular cluster model and the MNDO and DFT calculation methods ..."
 
Vol 4, No 5 (2013) Nanoscale structures based on the Zn1-xCdxS Abstract  PDF (Eng)  similar documents
M. A. Jafarov, E. F. Nasirov
"... , of Zn1−xCdxS nanoparticles, nanofilms, nanoscale p-n and heterojunction prepared on glass-ceramic ..."
 
Vol 9, No 4 (2018) Promising directions of increasing the properties of steel Abstract  PDF (Eng)  similar documents
A. I. Zaitsev, A. V. Koldaev, N. A. Arutyunyan
 
Vol 15, No 2 (2024) Tunneling recombination in GaN/InGaN LEDs with a single quantum well Abstract  PDF (Eng)  similar documents
S. V. Bulyarsky, L. N. Vostretsova, V. A. Ribenek
 
Vol 15, No 1 (2024) Equilibrium of intrinsic and impurity point defects in Ca-doped Sm2Zr2O7 Abstract  PDF (Eng)  similar documents
V. A. Vorotnikov, S. A. Belyakov, A. V. Ivanov, Yu. V. Novikova, A. Yu. Stroeva, V. V. Grebenev, D. N. Khmelenin, O. V. Emelyanova, M. S. Plekhanov, A. V. Kuzmin
 
Vol 16, No 6 (2025) Formation of NH4MgF3 and MgF2 nanoparticles from magnesium hydroxycarbonate in ammonium hydrofluoride melt Abstract  PDF (Eng)  similar documents
A. A. Luginina, A. ­ A. Alexandrov, D. S. Yasyrkina, J. A. Ermakova, V. V. Tapero, S. V. Kuznetsov
 
Vol 11, No 4 (2020) Supercritical fluid synthesis and possible properties of “cubic graphite” Abstract  PDF (Eng)  similar documents
A. V. Pokropivny, A. N. Enyashin, A. S. Smolyar, V. A. Kuts, V. G. Gurin, S. A. Antipov, P. M. Silenko, Yu. M. Solonin
 
Vol 5, No 1 (2014) Migration processes on the surface of carbon nanotubes with substitute boron atoms Abstract  PDF (Eng)  similar documents
S. Boroznin, E. Boroznina, P. A. Zaporotskov, O. A. Davletova
"... of an ionic-embedded covalent-cyclic cluster model, molecular cluster model and DFT method. We found that when ..."
 
Vol 10, No 1 (2019) Heisenberg chain equations in terms of Fockian covariance with electric field account and multiferroics in nanoscale Abstract  PDF (Eng)  similar documents
S. Leble
 
Vol 13, No 2 (2022) Impact of the channel shape, back oxide and gate oxide layers on self-heating in nanoscale JL FINFET Abstract  PDF (Eng)  similar documents
A. E. Atamuratov, B. O. Jabbarova, M. M. Khalilloev, A. . Yusupov, K. . Sivasankaran, J. C. Chedjou
"... in nanoscale junctionless Fin Field Effect Transistor through numerical simulation. The role of back oxide ..."
 
Vol 5, No 3 (2014) Metastable clusters and aggregative nucleation mechanism Abstract  PDF (Eng)  similar documents
O. V. Almjasheva, V. V. Gusarov
"... crystalline clusters is demonstrated. The presence of the stable small clusters in the initial phases makes ..."
 
Vol 15, No 5 (2024) Ceramic materials prepared from nanocrystalline InFeZnO4 powder: optical and mechanical properties, and evaluation of radiation tolerance Abstract  PDF (Eng)  similar documents
Olga N. Kondrat’eva, Maria N. Smirnova, Galina E. Nikiforova, Alexey D. Yapryntsev, Dmitriy F. Kondakov, Leonid D. Yagudin
 
Vol 12, No 5 (2021) Realization of combinational logic circuits using standard functions in quantum dot cellular automata Abstract  PDF (Eng)  similar documents
Ratna Chakrabarty, Niranjan Kumar Mandal
 
Vol 9, No 3 (2018) Synthesis and properties of nanoscale films of the Y2O3–Fe2O3 system on silicon Abstract  PDF (Eng)  similar documents
I. A. Milyaeva, N. S. Perov, V. V. Bessalova, M. V. Berezhnaya, V. O. Mittova, Anh Tien Nguyen, I. Ya. Mittova
 
Vol 9, No 1 (2018) Ion sputtering of nanoclusters, fullerenes and carbon nanotubes Abstract  PDF (Eng)  similar documents
S. N. Kapustin, M. K. Eseev
 
Vol 10, No 6 (2019) Experimental evaluation of chemical resistance of steatite products towards aluminum-based melts Abstract  PDF (Eng)  similar documents
N. K. Orlov, D. A. Kozlov, S. A. Tikhonova, A. A. Tikhonov, A. V. Garshev, P. V. Evdokimov, V. I. Putlayev, A. A. Vasyakov, A. V. Chetvertukhin, A. K. Petrov, I. Yu. Mikhailov, S. V. Polyakov, A. A. Fedyanin
"... or magnesium-containing alloys are used). The reduction of silicon results in the formation of nanoscale ..."
 
Vol 3, No 2 (2012) Quasi-fractals: New possibilities in describing of the self-similar clusters Abstract  similar documents
A. P. Alekhin
"... In this paper we propose a method for parameterization of fractal clusters which allows us ..."
 
Vol 8, No 4 (2017) Oxide material synthesis by combustion of organic-inorganic compositions Abstract  PDF (Eng)  similar documents
A. A. Ostroushko, O. V. Russkikh
"... and options to control these processes and nanoscale materials’ properties. We have highlighted several issues ..."
 
Vol 7, No 4 (2016) In4Mg3 in InxMg3 (x = 1 − 6) series: a magic unit for future smart materials Abstract  PDF (Eng)  similar documents
D. R. Roy, M. Shaikh, V. Kumar
"... (semiconductor-alkaline earth) clusters, viz., InxMg3 (x = 1 − 6) is performed, in the search for exceptionally ..."
 
Vol 7, No 3 (2016) Synthesis and study of anhydrous lanthanide orthophosphate (Ln = La, Pr, Nd, Sm) nanowhiskers Abstract  PDF (Eng)  similar documents
K. I. Bryukhanova, G. E. Nikiforova, K. S. Gavrichev
"... . The optimum conditions for preparation of anhydrous nanoscale lanthanide orthophosphates with monoclinic ..."
 
Vol 8, No 6 (2017) Nonlinear topological states in the Su–Schrieffer–Heeger model Abstract  PDF (Eng)  similar documents
M. A. Gorlach, A. P. Slobozhanyuk
"... Topological photonics offers unique functionalities in light manipulation at the nanoscale ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Diffraction-based characterization of amorphous sp2 carbon: sensitivity to domain-like packing of nanostructures Abstract  PDF (Eng)  similar documents
V. S. Neverov, P. A. Borisova, A. B. Kukushkin, V. V. Voloshinov
"... “A”. Such a structuring corresponds to a partial destruction of the nanoscale structure of the sample (e.g. by low ..."
 
Vol 11, No 5 (2020) Spin-glass transition in porous spheres BiFeO3 Abstract  PDF (Eng)  similar documents
A. V. Dmitriev, E. V. Vladimirova, M. A. Semkin, A. V. Korolev
"... to 300 K. A transition to cluster spin glass state has been detected in the region of about 100 K ..."
 
Vol 16, No 1 (2025) Application of the numerical model of temperature-dependent thermal conductivity in Ca1-xYxF2+x heterovalent solid solution nanocomposites Abstract  PDF (Eng)  similar documents
P. A. Popov, A. V. Shchelokov, V. A. Konyushkin, A. N. Nakladov, P. P. Fedorov
"... on nanosized clusters of defects present in the solid solution. Within the framework of a two-component model ..."
 
Vol 3, No 6 (2012) Formation of the Complexly organized nanostructures based on the FeOx–SiO2–TiO2 system Abstract  similar documents
S. A. Kirillova, V. I. Almjashev
"... with hierarchical organization of structure elements. Examples and ways of the nanoscale elements formation ..."
 
Vol 10, No 3 (2019) The use of nanocluster polyoxometalates in the bioactive substance delivery systems Abstract  PDF (Eng)  similar documents
A. A. Ostroushko, I. D. Gagarin, I. G. Danilova, I. F. Gette
"... Nanoscale systems occupy the most important place among the vehicles intended for targeted drug ..."
 
Vol 8, No 6 (2017) Nanocluster structure deduced from AC-STEM images coupled to theoretical modelling Abstract  PDF (Eng)  similar documents
K. Sukuta, M. Van den Bossche, A. Pedersen, H. Jónsson
"... -dimensional AC-STEM image plus an estimate of the cluster’s energy for adding information about the third ..."
 
Vol 16, No 4 (2025) Surface electronic structure of TbIr2Si2 antiferromagnet Abstract  PDF (Eng)  similar documents
D. A. Perminova, I. A. Shvets, D. Yu. Usachov, D. V. Vyalykh, S. V. Eremeev
"... By means of ab initio density functional theory (DFT) calculations, we examined the surface ..."
 
Vol 8, No 5 (2017) Energetics of carbon nanotubes with open edges: Modeling and experiment Abstract  PDF (Eng)  similar documents
V. G. Zavodinsky, O. A. Gorkusha, A. P. Kuz’menko
"... Modeling approaches based on the density functional theory (DFT): the Kohn–Sham (KS) method ..."
 
Vol 14, No 2 (2023) Features of Ca1-xYxF2+x solid solution heat capacity behavior: diffuse phase transition Abstract  PDF (Eng)  similar documents
A. A. Alexandrov, A. D. Rezaeva, V. A. Konyushkin, A. N. Nakladov, S. V. Kuznetsov, P. P. Fedorov
 
Vol 12, No 6 (2021) Phase equilibria and materials in the TiO2–SiO2–ZrO2 system: a review Abstract  PDF (Eng)  similar documents
S. A. Kirillova, V. I. Almjashev, V. L. Stolyarova
"... , binodal and spinodal curves, make it possible to predict the possibility of the formation of nanoscale ..."
 
Vol 14, No 2 (2023) Ceric phosphates and nanocrystalline ceria: selective toxicity to melanoma cells Abstract  PDF (Eng)  similar documents
T. O. Kozlova, A. L. Popov, M. V. Romanov, I. V. Savintseva, D. N. Vasilyeva, A. E. Baranchikov, V. K. Ivanov
"... to its high UV absorbance and non-toxicity to normal cells. Nanoscale CeO2 also showed selective cytotoxi ..."
 
Vol 9, No 1 (2018) Optical properties of defective carbon nanotube (7,7) Abstract  PDF (Eng)  similar documents
S. A. Sozykin, V. P. Beskachko
"... theory (DFT) framework in the local density approximation. It is shown that the defects of a single ..."
 
Vol 15, No 5 (2024) Magnesium based tin-silicon alloys under pressure: first-principles evolution search results Abstract  PDF (Eng)  similar documents
Yuri V. Luniakov
"... the evolution algorithm combined with the density functional theory (DFT) approach. The evolutionary search has ..."
 
Vol 8, No 6 (2017) Kinetic coefficients of semiconductor superlattices in high-frequency electromagnetic fields Abstract  PDF (Eng)  similar documents
A. V. Shorokhov, N. S. Prudskikh, M. B. Semenov, V. D. Krevchik, M. A. Pyataev, S. E. Golovatyuk, Tian-Rong Li, Yu-Hua Wang
"... equation with Bhatnagar–Gross–Krook (BGK) collision term and Poisson equation. Using the universal analytic ..."
 
Vol 5, No 4 (2014) Electronic structure and stabilization of C60 fullerene encapsulating actinide atom Abstract  PDF (Eng)  similar documents
M. V. Ryzhkov, A. L. Ivanovskii, B. Delley
"... the DFT based Dmol3 method. In order to perform calculations for these complexes’ electronic structures ..."
 
Vol 4, No 2 (2013) Effect of anchoring atoms on transport properties of a carbon-dimer based molecular junction: a first principles study Abstract  PDF (Eng)  similar documents
R. M. Hariharan, D. John Thiruvadigal
"... and the probing electrodes. Combining the density functional theory calculations (DFT) for molecular electronic ..."
 
Vol 4, No 3 (2013) The effects of defects on electron transport in metallic single wall carbon nanotubes Abstract  PDF (Eng)  similar documents
S. Sivasathya, D. John Thiruvadigal
"... with the density functional theory (DFT). The transmission spectra and the projected density of states ..."
 
Vol 9, No 1 (2018) High pressure photoluminescence studies of diamond with GeV centers Abstract  PDF (Eng)  similar documents
S. G. Lyapin, A. A. Razgulov, A. P. Novikov, E. A. Ekimov, M. V. Kondrin
"... are compared with results of ab-initio DFT calculations, using Quantum ESPRESSO software package. ..."
 
Vol 3, No 2 (2012) The catalytic action of vanadium and its oxide (V) in the oxidation processes of AIIIBV semiconductors Abstract  similar documents
I. Ya. Mittova, E. V. Tomina, A. A. Lapenko, B. V. Sladkopevtcev
"... The catalytic synchronous mechanism effect of deposited nanoscale layers of chemostimulaters V ..."
 
Vol 12, No 5 (2021) Properties of an oriented ring of neurons with the FitzHugh-Nagumo model Abstract  PDF (Eng)  similar documents
E. G. Fedorov
"... at the nanoscale level. This paper will build a model for an oriented ring of connected neurons. To describe ..."
 
Vol 16, No 3 (2025) Epoxide-mediated synthesis of germania aerogels in acetic acid Abstract  PDF (Eng)  similar documents
O. M. Gajtko, S. V. Golodukhina, S. Yu. Kottsov, A. G. Son, T. O. Kozlova, A. E. Baranchikov
"... of a three-dimensional network of nanoscale (⁓20 nm) particles and possessing specific surface area of about ..."
 
Vol 9, No 3 (2018) Interplay between size and stability of magnetic skyrmions Abstract  PDF (Eng)  similar documents
A. S. Varentsova, M. N. Potkina, S. von Malottki, S. Heinze, P. F. Bessarab
"... trends. Stability of nanoscale skyrmions can be enhanced by a concerted adjustment of material parameters ..."
 
Vol 16, No 4 (2025) Ionic conductivity in nanopipettes: experiment and model Abstract  PDF (Eng)  similar documents
S. Yu. Lukashenko, O. M. Gorbenko, M. L. Felshtyn, I. D. Sapozhnikov, D. A. Kirilenko, S. V. Pichakhchi, M. V. Zhukov, A. O. Golubok
"... of the nanopipette tip, governed by electroosmosis and the tip shape. These findings provide insights into nanoscale ..."
 
Vol 3, No 2 (2012) Modelling of interaction between the Atomic force microscope probe with a polymer surface with account of van der Waals forces and surface tension Abstract  similar documents
O. K. Garishin
"... such important factors as to the nanoscale surface tension forces associated with the curvature of the sample ..."
 
Vol 8, No 5 (2017) Peculiarities of LaFeO3 nanocrystals formation via glycinenitrate combustion Abstract  PDF (Eng)  similar documents
A. Bachina, V. A. Ivanov, V. I. Popkov
"... microstructure in terms of monocrystalline nanoscale layers of lanthanum orthoferrite, therefore it is allowed ..."
 
Vol 9, No 1 (2018) Phase stability of fluorinated nanodiamonds under HPHT treatment Abstract  PDF (Eng)  similar documents
V. N. Khabashesku, V. P. Filonenko, A. S. Anokhin, E. V. Kukueva
"... The aspects of phase and size stability of surface fluorinated nanoscale diamond powders during ..."
 
Vol 9, No 4 (2018) A new efficient non-reversible 4 bit binary to gray and 4 bit gray to binary converter in QCA Abstract  PDF (Eng)  similar documents
Md. T. Islam, G. S. Jahan, A. N. Bahar, K. Ahmed, Md. Abdullah-Al-Shafi
"... by C. S. Lent. The nanoscale size quantum cell is a feature of QCA technology. In this paper, we ..."
 
Vol 15, No 5 (2024) Ionic channel structure in perfluorinated membranes studied by small angle X-ray scattering, optical and Mossbauer spectroscopy Abstract  PDF (Eng)  similar documents
Vasily T. Lebedev, Valery S. Kozlov, Mikhail V. Remizov, Yury V. Kulvelis, Oleg N. Primachenko, Elena A. Marinenko, Georgy S. Peters
"... of ionic groups of polymer chains at nanoscales into extended fine channels for proton conductivity ..."
 
Vol 15, No 6 (2024) Natural polyphenols as potential antibacterial agents and their delivery systems of nanosized level Abstract  PDF (Eng)  similar documents
V. I. Klimshina, R. O. Shaikenov, S. N. Morozkina, A. E. Romanov, P. P. Snetkov
"... promising polyphenols and key approaches for their delivery at the nanoscale level, as well as the methods ..."
 
Vol 14, No 1 (2023) Synthesis and thermal behavior of KCe2(PO4)3, a new full-member in the AIMIV2 (PO4)3 family Abstract  PDF (Eng)  similar documents
T. O. Kozlova, D. N. Vasilyeva, D. A. Kozlov, M. A. Teplonogova, A. E. Baranchikov, N. P. Simonenko, V. K. Ivanov
"... Hydrothermal treatment of nanoscale amorphous ceric phosphate gel in KOH aqueous solutions ..."
 
Vol 8, No 6 (2017) Stable Ti9O10 nanophase grown from nonstoichiometric titanium monoxide TiOy nanopowder Abstract  PDF (Eng)  similar documents
A. A. Valeeva, M. G. Kostenko
"... 1 structure and (b) by orthorhombic distortions. The DFT calculations of the full energy ..."
 
Vol 6, No 2 (2015) Renyi entropy for the doped graphene at low temperatures Abstract  PDF (Eng)  similar documents
N. N. Konobeeva, A. A. Polunina, M. B. Belonenko
"... The distribution function for the perimeter of a simply connected cluster containing undoped ..."
 
Vol 9, No 1 (2018) Catalytic pyrene and pyrene butyric acid condensation as a means of producing graphene Abstract  PDF (Eng)  similar documents
O. A. Shinkarenko, M. V. Pozharov, A. S. Kolesnikova, A. S. Chumakov, A. J. K. Al-Alwani, O. Yu. Tsevtkova, E. G. Glukhovskoy
"... (or 2D nanoscale), we propose to use a surface of water or a monolayer of surfactants on water ..."
 
Vol 15, No 5 (2024) Physicochemical properties and biological activity of novel cerium oxide nanoparticles modified with pyrroloquinoline quinone Abstract  PDF (Eng)  similar documents
Elizaveta A. Zamyatina, Olga A. Goryacheva, Nelli R. Popova
"... Nanoscale cerium oxide (CeO2) is a bioavailable inorganic nanozyme exhibiting pronounced redox ..."
 
Vol 13, No 1 (2022) Synthesis and biocompatibility study of ceria-mildronate nanocomposite in vitro Abstract  PDF (Eng)  similar documents
A. L. Popov, D. D. Kolmanovich, N. R. Popova, S. S. Sorokina, O. S. Ivanova, N. N. Chukavin, A. B. Shcherbakov, T. O. Kozlova, S. A. Kalashnikova, V. K. Ivanov
"... Nanoscale cerium dioxide (CeO2, nanoceria) possesses notable redox activity, which is actively ..."
 
Vol 16, No 4 (2025) Ionic Conductivity in Nanopipettes: Experiment and Model Abstract  similar documents
Stanislav Yurievich Lukashenko
"... into the behavior of ion transport at the nanoscale. ..."
 
Vol 11, No 3 (2020) Formation of Bi2WO6 nanocrystals under conditions of hydrothermal treatment Abstract  PDF (Eng)  similar documents
A. S. Svinolupova, M. S. Lomakin, S. A. Kirillova, O. V. Almjasheva
"... that the formation rate of bismuth tungstate nanocrystals was determined by the presence of clusters formed ..."
 
Vol 15, No 4 (2024) Kinetic of colloidal-chemical transformations during the decomposition of ammonia complexes of Zn(II) in alkaline solutions. Abstract  PDF (Eng)  similar documents
M. A. Maksimova, E. V. Polyakov, I. V. Volkov, A. P. Tyutyunnik, A. A. Ioshin
"... that up to 95 ◦C the ion-molecular growth of Zn(OH)2/ZnO clusters in solution (Σ) proceeds in a diffusion ..."
 
Vol 11, No 2 (2020) Synthesis of GdFeO3 nanoparticles via low-temperature reverse co-precipitation: the effect of strong agglomeration on the magnetic behavior Abstract  PDF (Eng)  similar documents
Y. Albadi, K. D. Martinson, A. V. Shvidchenko, I. V. Buryanenko, V. G. Semenov, V. I. Popkov
"... size of 23±3 nm, which were strongly agglomerated into clusters of about 200 nm in diameter ..."
 
Vol 2, No 3 (2011) The modeling of SiC phases on basis of nanostructures Abstract  similar documents
E. A. Belenkov, E. N. Agalyamova, V. A. Greshnyakov
"... of nanostructures was offered. The geometrically optimized structure of silicon carbide clusters was calculated ..."
 
Vol 7, No 3 (2016) Development of an orbital-free approach for simulation of multi-atomic nanosystems with covalent bonds Abstract  PDF (Eng)  similar documents
V. G. Zavodinsky, O. A. Gorkusha
"... On the example of the three-atomic clusters Al3, Si3, and C3, it is shown that an orbital-free ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Investigation and modeling of evolution of C60/NMP solution UV-Vis spectra Abstract  PDF (Eng)  similar documents
N. Jargalan, T. V. Tropin, M. V. Avdeev, V. L. Aksenov
"... modeling the slow growth kinetics of large clusters in C60/NMP solutions. ..."
 
Vol 8, No 1 (2017) Crystalline structure and properties of diamond-like materials Abstract  PDF (Eng)  similar documents
E. A. Belenkov, M. M. Brzhezinskaya, V. A. Greshnyakov
"... obtained by linking or superposing ofcarbon clusters. It was found that thirteen such phases can exist ..."
 
Vol 9, No 1 (2018) Optimization of the solvent-exchange process for high-yield synthesis of aqueous fullerene dispersions Abstract  PDF (Eng)  similar documents
I. V. Mikheev, M. O. Pirogova, T. A. Bolotnik, D. S. Volkov, M. V. Korobov, M. A. Proskurnin
"... estimated as not exceeding 3 ppm. The possible structure of fullerene clusters in AFD was assumed as {n[C60 ..."
 
Vol 11, No 2 (2020) Cryometry and excess thermodynamic functions in water soluble of the fullerenol C60(OH)24 Abstract  PDF (Eng)  similar documents
N. A. Charykov, K. N. Semenov, V. A. Keskinov, V. A. Kulenova, Z. K. Shaimardanov, B. K. Shaimardanova, L. V. Gerasimova, Ayat Kanbar, D. G. Letenko
"... concentrations (in molar fractions) vary over a wide range xnano−cluster = 5.0 · 10−6 ÷ 1.6 · 10−4 a.un. Liquidus ..."
 
Vol 3, No 6 (2012) Interatomic interaction in bbc metals Abstract  similar documents
V. Zalizniak
"... is based on the embedded atom method (V.E. Zalizniak, O.A. Zolotov. Universal interatomic potential ..."
 
Vol 5, No 1 (2014) Simulation of secondary electron transport in thin metal and fullerite films Abstract  PDF (Eng)  similar documents
E. O. Petrenko, M. V. Makarets, V. M. Mikoushkin, V. M. Pugach
"... of the sizes of the calculated secondary electron swarm and the experimental cluster-pixel obtained previously ..."
 
Vol 11, No 1 (2020) The Lagrange variety approach applied to frustrated classical wheels Abstract  PDF (Eng)  similar documents
W. Florek, A. Marlewski, G. Kamieniarz, M. Antkowiak
"... ,αc) of the energy function parameter α. The ‘critical’ value αc = 1/4 is universal, i.e., it does ..."
 
Vol 7, No 5 (2016) Resonance scattering across the superlattice barrier and the dimensional quantization Abstract  PDF (Eng)  similar documents
B. Pavlov, A. Yafyasov
"... Carbon nano-cluster cathodes exhibit a low threshold electron emission, which is 2–3 orders lower ..."
 
Vol 8, No 3 (2017) Cryometry data and excess thermodynamic functions in the binary system: water soluble bis-adduct of light fullerene C70 with lysine. Assymmetrical thermodynamic model of virtual gibbs energy decomposition – VD-AS Abstract  PDF (Eng)  similar documents
N. A. Charykov, K. N. Semenov, V. V. Keskinov, P. V. Garamova, D. P. Tyurin, I. V. Semenyuk, V. V. Petrenko, A. V. Kurilenko, M. Yu. Matuzenko, N. A. Kulenova, A. A. Zolotarev, D. G. Letenko
"... fractions in the solution. With the help of the VD-AS model, partial molar functions of nano-clusters were ..."
 
Vol 15, No 3 (2024) Preparation, structure and magnetic properties of the nanostructural Ni@C films obtained by magnetron deposition Abstract  PDF (Eng)  similar documents
R. V. Shalayev, V. N. Varyukhin, A. I. Linnik, V. V. Syrotkin, S. A. Kostyrya
"... -ray diffraction analysis. The cluster nature of film deposition on the growth surface was established ..."
 
Vol 6, No 5 (2015) Encapsulation of iron atoms between framgments of graphene planes Abstract  PDF (Eng)  similar documents
A. V. Siklitskaya, V. I. Ivanov-Omskii, M. S. Chekulaev, S. G. Yastrebov, R. Smith, A. Slav, C. Morosanu, S. V. Kozyrev
"... modified with iron (a − C : F e) which leads to construction of clusters containing fragments of graphene ..."
 
Vol 6, No 3 (2015) Atomic order and metallic nanoclusters in Na4Ir3O8 Abstract  PDF (Eng)  similar documents
M. V. Talanov, V. B. Shirokov, V. M. Talanov
"... bonds formed by Ir-clusters – decagons. Unusual physical properties of solid solutions on the basis ..."
 
Vol 10, No 6 (2019) A comparative study of the effect of solvents on the optical, structural and morphological properties of ZnO–GO nanocomposites synthesized by sol-gel method Abstract  PDF (Eng)  similar documents
Sudha Maurya, Sandhya Pillai
"... the formation of layered structures dispersed non-uniformly over clusters of particles. Energy Dispersive X-Ray ..."
 
Vol 14, No 6 (2023) Study of the electrical and electronic properties of crystalline molybdenum disulfide (MoS2-3R) semiconductor nano using alternating current (AC) measurements Abstract  PDF (Eng)  similar documents
H. Alhussein, J. Q AlSharr, S. Othman, H. AlKhamisy
"... of the surface clusters of the studied tablet is of the order of 50 – 100 nm. Using measurements (Zetasizer Nano ..."
 
Vol 15, No 2 (2024) Photon antibunching in sixth harmonic generation Abstract  PDF (Eng)  similar documents
Rupesh Singh, Dilip Kumar Giri
"... that the coherent state, or vacuum state, of a pump field with a nonzero harmonic field creates photon clusters ..."
 
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