Effect of Ultrahigh Stiffness of Defective Graphene from Atomistic Point of View

Well-known effect of mechanical stiffness degradation under the influence of point defects in macroscopic solids can be controversially reversed in the case of low-dimensional materials. Using atomistic simulation, we showed here that a single-layered graphene film can be sufficiently stiffened by monovacancy defects at a tiny concentration. Our results correspond well with recent experimental data and suggest that the effect of mechanical stiffness augmentation is mainly originated from specific bonds distribution in the surrounded monovacancy defects regions. We showed that such unusual mechanical response is the feature of presence of specifically monovacancies, whereas other types of point defects such as divacancy, 555-777 and Stone-Wales defects, lead to the ordinary degradation of the graphene mechanical stiffness.Comment: 9 pages, 3 figure

High-refractive index and mechanically cleavable non-van der Waals InGaS3

The growing families of two-dimensional crystals derived from naturally occurring van der Waals materials offer an unprecedented platform to investigate elusive physical phenomena and could be of use in a diverse range of devices. Of particular interest are recently reported atomic sheets of non-van der Waals materials, which could allow a better comprehension of the nature of structural bonds and increase the functionality of prospective heterostructures. Here, we study the optostructural properties of ultrathin non-van der Waals InGaS3 sheets produced by standard mechanical cleavage. Our ab initio calculation results suggest an emergence of authentically delicate out-of-plane covalent bonds within its unit cell, and, as a consequence, an artificial generation of layered structure within the material. Those yield to singular layer isolation energies of around 50 meVA-2, which is comparable with the conventional van der Waals material's monolayer isolation energies of 20 - 60 meVA-2. In addition, we provide a comprehensive analysis of the structural, vibrational, and optical properties of the materials presenting that it is a wide bandgap (2.73 eV) semiconductor with a high-refractive index (higher than 2.5) and negligible losses in the visible and infrared spectral ranges. It makes it a perfect candidate for further establishment of visible-range all-dielectric nanophotonics

Crowdsourcing Fungal Biodiversity : Revision of Inaturalist Observations in Northwestern Siberia

The paper presents the first analysis of crowdsourcing data of all observations of fungi (including lichens) and myxomycetes in Northwestern Siberia uploaded to iNaturalist.org to date (24.02.2022). The Introduction presents an analysis of fungal diversity crowdsourcing globally, in Russia, and in the region of interest. Materials and methods describe the protocol of uploading data to iNaturalist.org, the structure of the crowdsourcing community. initiative to revise the accumulated data. procedures of data analysis, and compilation of a dataset of revised crowdsourced data. The Results present the analysis of accumulated data by several parameters: temporal, geographical and taxonomical scope, observation and identification efforts, identifiability of various taxa, species novelty and Red Data Book categories and the protection status of registered observations. The Discussion provides data on usability of crowdsourcing data for biodiversity research and conservation of fungi, including pros and contras. The Electronic Supplements to the paper include an annotated checklist of observations of protected species with information on Red Data Book categories and the protection status, and an annotated checklist of regional records of new taxa. The paper is supplemented with a dataset of about 15 000 revised and annotated records available through Global Biodiversity Information Facility (GBIF). The tradition of crowdsourcing is rooted in mycological societies around the world, including Russia. In Northwestern Siberia, a regional mycological club was established in 2018, encouraging its members to contribute observations of fungi on iNaturalist.org. A total of about 15 000 observations of fungi and myxomycetes were uploaded so far, by about 200 observers, from three administrative regions (Yamalo-Nenetsky Autonomous Okrug, Khanty-Mansi Autonomous Okrug, and Tyumen Region). The geographical coverage of crowdsourcing observations remains low. However. the observation activity has increased in the last four years. The goal of this study consisted of a collaborative effort of professional mycologists invited to help with the identification of these observations and analysis of the accumulated data. As a result, all observations were reviewed by at least one expert. About half of all the observations have been identified reliably to the species level and received Research Grade status. Of those, 90 species (195 records) represented records of taxa new to their respective regions: 876 records of 53 species of protected species provide important data for conservation programmes. The other half of the observations consists of records still under-identified for various reasons: poor quality photographs, complex taxa (impossible to identify without microscopic or molecular study). or lack of experts in a particular taxonomic group. The Discussion section summarises the pros and cons of the use of crowdsourcing for the study and conservation of regional fungal diversity, and summarises the dispute on this subject among mycologists. Further research initiatives involving crowdsourcing data must focus on an increase in the quality of observations and strive to introduce the habit of collecting voucher specimens among the community of amateurs. The timely feedback from experts is also important to provide quality and the increase of personal involvement.Peer reviewe

The influence of size effect on the electronic and elastic properties of diamond films with nanometer thickness

The atomic structure and physical properties of few-layered oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides are studied using electronic band structure calculations. It was shown that energy stability linear increases upon increasing of the thickness of proposed structures. All 2D carbon films display direct dielectric band gaps with nonlinear quantum confinement response upon the thickness. Elastic properties of diamanes reveal complex dependence upon increasing of the number of layers. All theoretical results were compared with available experimental data.Comment: 16 pages, 5 figures, 3 table

Theoretic Investigation of Mechanical Properties of Graphene Membranes by Means of Molecular Mechanics

Методом классической молекулярной механики (ММ) были изучены механические свойства од- нослойных графеновых мембран. Изучены графеновые мембраны различного диаметра от 38lA до 140lA, рассчитан их модуль Юнга. Также были изучены механические свойства графеновых мем- бран с содержанием вакансионных дефектов от 0.25 % до 7 %.The mechanical properties of the single graphene membranes were investigated by a classical molecular mechanics (MM) simulation method. The graphene membranes of different diameters from 38 lA to 140 lA were studied and their Youngs modulus was calculated. We also investigate graphene membranes with vacancy defects with different concentration from 0.25% to 7%