A first principle study of hydrogen storage in titanium-doped small carbon clusters (C2nTin,n = 2–6) |
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| Authors: | Sahoo Rakesh K Ray Shakti S Sahu Sridhar |
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| Institution: | 1.High Performance Computing Lab, Department of Physics, Indian Institute of Technology (Indian School of Mines), Dhanbad, Jharkhand, 826004, India
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| Abstract: | Structural Chemistry - Hydrogen storage in Ti-doped small carbon clusters, C2nTin (n = 2–6), has been studied using density functional theory. Using the principle of maximum hardness (η)... |
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