All these systems were investigated by method at the B3LYP/3–21 G level in light of the density functional theory (DFT) with the Gaussian 09 program. The electronic properties (such as band gaps, Fermi level, HOMO, and LUMO energies) and the global properties (ionization potential, electron affinity, electronegativity, hardness, softness, and electrophilicity) are calculated for GNFs with and without the Se and S atoms. hole (H), passivation (P), top (T), replace (R), and bridge (B) is studied to define the most stable structure. The adsorption of both Se, and S at five different positions viz. The interaction between graphene nanoflakes (GNFs) and selenium or sulfur has been investigated by considering it as add atom impurity and a passivating element. The most promising implementation of this paradigm is to be used as a recharging battery or as a nanosensor for various particles.
Graphene nanoflakes (GNFs) were chosen due to their great potential for employment in electronic nanoscale applications. Horticulture, Agriculture, Soil Science, Agronomy, Biology, Economics, Biotechnology, Agricultural chemistry, Soil, development in plants, aromatic plants, subtropical fruits, Green house construction, Growth, Horticultural therapy, Entomology, Medicinal, Weed management in horticultural crops, plant Analysis, Tropical, Food Engineering, Venereal diseases, nutrient management, vegetables, Ophthalmology, Otorhinolaryngology, Internal Medicine, General Surgery, Soil fertility, Plant pathology, Temperate vegetables, Psychiatry, Radiology, Pulmonary Medicine, Dermatology, Organic farming, Production technology of fruits, Apiculture, Plant breeding, Molecular breeding, Recombinant technology, Plant tissue culture, Ornamental horticulture, Nursery techniques, Seed Technology, plantation crops, Food science and processing, cropping system, Agricultural Microbiology, environmental technology, Microbial, Soil and climatic factors, Crop physiology, Plant breeding, Electrical Engineering and Telecommunication Section:
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