Correction: Electron counting in cationic and anionic silver clusters doped with a 3d transition-metal atom: endo- vs. exohedral geometry

Correction for ‘Electron counting in cationic and anionic silver clusters doped with a 3d transition-metal atom: endo- vs. exohedral geometry’ by Kento Minamikawa et al., Phys. Chem. Chem. Phys., 2022, DOI: 10.1039/d1cp04197e.

ROLE OF «MAGIC» HCP NUMBERS IN STABILITY OF THE INTERNAL STRUCTURE OF Ag AND Ag NANOCLUSTERS

В настоящее время серебро активно применяется в микроэлектронике, в основном благодаря своей высокой электро- и теплопроводности. Учет процессов взаимодействия между металлом и световой волной (плазмонные эффекты) дает совершенно новые технические приложения серебра. Эти приложения становятся возможными благодаря сильному взаимодействию между падающим светом и свободными электронами в наноструктурах. К настоящему времени уже стало понятно, что размер, форма и структура наночастиц определяют их плазмонные свойства, в том числе резонансные частоты. Следовательно, подгонкой размера, внешнего вида металлической наноструктуры и ее внутреннего строения, можно управлять светом с очень большой степенью точности. В данной работе методом молекулярной динамики с использованием модифицированного потенциала сильной связи TB-SMA (second moment approximation of tight-binding) были изучены границы термической стабильности различной исходной структурной фазы в малых кластерах серебра с числом атомов, соответствующим «магическим» числам ГПУ структуры. Было показано, что характер термически индуцированных структурных переходов в исследуемых группах нанокластеров резко отличается. Данный факт может позволить создать малые кластеры серебра с требуемым внутренним строением. Currently, silver is actively used in microelectronics, mainly due to its high electrical and thermal conductivity. Taking into account the processes of interaction between a metal and a light wave (plasmon effects) gives completely new technical applications of silver. These applications are made possible by the strong interaction between incident light and free electrons in nanostructures. By now, it has already become clear that the size, shape, and structure of nanoparticles determine their plasmon properties, including resonance frequencies. Therefore, by adjusting the size, appearance of the metal nanostructure and its internal structure, it is possible to control light with a very high degree of accuracy. In this work, the boundaries of thermal stability of various initial structural phases in small silver clusters with the number of atoms corresponding to the «magic» numbers of the hcp structure were studied by the molecular dynamics method using the modified tight-binding potential TB-SMA (second moment approximation of tight-binding). It was shown that the nature of thermally induced structural transitions in the groups of nanoclusters under study differs sharply. This fact can make it possible to create small silver clusters with the required internal structure.

Self-Assembly of Silver Clusters into One- and Two-Dimensional Structures as Artificial Intelligent Sensors of Alcohol

Reggeization and response to external stimulus is an important part of artificial intelligence, which would significantly improve the quality of life in the future. The development of new materials for the design of sensitive and responsive sensors has become a crucial component. Here, two silver cluster-based polymers (Ag-CBPs), including one-dimensional (1D) {Ag22(L1)8(CF3CO2)14(CH3OH)2}n chain and two-dimensional (2D) {[Ag12(L2)2(CO2CF3)14(H2O)4(AgCO2CF3)4](HNEt3)2}n film, are designed and used to simulate the human nose - an elegant sensor to smells, to distinguish organic solvents. We study the relationship between the atomic structures of Ag-CBPs determined by X-ray diffraction and electrical properties in the presence of organic solvents (e.g. methanol, ethanol). The ligands, cations and the ligated solvent molecules not only play an important role in the self-assembly process of Ag-CBP materials, but also determine their physiochemical properties. An application of cluster-based polymers is demonstrated in the artificial intelligent sensors.

Clustering in thin silver films upon heating

The kinetics of the formation of silver clusters Ag from nanoscale continuous films of Ag on the surface of silicate glass and composite structures from films of Ag with carbon in the form of a continuous film and individual nanoparticles upon annealing in air at temperatures up to 670K is investigated. In the course of the work, the dependences of the surface morphology of silver clusters and absorption spectra in the visible wavelength range were obtained by the methods of atomic force microscopy and optical spectrophotometry.

Hopping Conductivity and Dielectric Relaxations in Ag/PAN Nanocomposites

The dependence of the conductivity and electric modulus of silver/polyacrylonitrile nanocomposites on the frequency of an alternating electric field has been studied at different temperatures and starting mixture AgNO3 contents. The frequency dependences on the conductivity of the nanocomposites in the range of 103–106 Hz are in good agreement with the power law f0.8. The observed relaxation maxima in the relation of the imaginary part of the electric modulus on the frequency can be explained by interfacial polarization. It was shown that the frequency dispersions of conductivity and electric modulus were well described by the Dyre and Cole-Davidson models, respectively. Using these models, we have estimated the relaxation times and the activation energies of these structures. A mechanism of charge transport responsible for the conductivity of nanocomposites is proposed. An assumption is made regarding the presence of Ag42+ and Ag82+ silver clusters in the polymer.