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    • Theoretical study of hydrogen adsorption in Ti-decorated capped carbon nanotube 

      Niaz, Shanawer; Abbasian, Hamed; Badar, Manzoor Ahmad; Anwar-ul-Haq, Muhammad; Karayel, Arzu (Taylor and Francis Ltd., 2017)
      We present ab initio study using dispersion-corrected density functional theory calculations to investigate the hydrogen interaction with Ti-coated, one end closed, single-walled carbon nanotube (SWCNT). Our results ...