Carbon and Boron Nitride Nanostructures for Hydrogen Storage Applications Through a Theoretical Perspective
CARBON AND BORON NITRIDE NANOSTRUCTURES FOR HYDROGEN STORAGE APPLICATIONS THROUGH A THEORETICAL PERSPECTIVE Y. T. Singha,b, B. Chettria,b, A. Banikc , K. O. Obodod and D. P. Raia,* aPhysical Science Research Center (PSRC), Department of Physics, Pachhunga University College, Mizoram University, Aizawl 796001, India bDepartment of Physics, North-Eastern Hill University, Shillong 793022, India cDepartment of Electrical Engineering, National Institute of Technical Teachers' Training & Research (NITTTR), Kolkata, India dHySA Infrastructure Centre of Competence, Faculty of Engineering, North-WestUniversity (NWU), P. Bag X6001, Potchefstroom, 2520, South Africa Abstract: The recent progress in the field of hydrogen storage in carbon and boron nitride nanostructures has been summarized. Carbon and boron nitride nanostructures are considered advantageous in this prospect due to their lightweight and high surface area. Demerits of pristine structures to hold hydrogen molecules for mobile applications have been highlighted by many researchers. In such cases, weak van der Waals interaction comes into account, hence, the hydrogen molecules are weakly bonded with the host materials and hence weak adsorption energy and low hydrogen molecules uptake. So, to tune the adsorption energy as well as overall kinetics, methods such as doping, light alkali-alkaline earth metals decoration, vacancy, functionalization, pressure variation, application of external electric field, and biaxial strain has been adopted by many researchers. Physisorption with atoms decoration is promising for hydrogen storage application. Under this condition, the host materials have high storage capacity with considerable average adsorption energy, feasible adsorption/desorption kinetics. Keywords: Density Functional Theory; hydrogen storage; boron nitride; graphene; carbon nanotube; adsorption energy; desorption temperature; physisorption; chemisorption; temperature; pressure.
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