69 citations · 170 across the 6 of their papers we have counts for
6 papers
Multi-modal Spectroscopic Study of Surface Termination Evolution in Cr2TiC2Tx MXene
James L. Hart, Kanit Hantanasirisakul, Andrew C. Lang +6
Control of surface functionalization of MXenes holds great potential, and in particular, may lead to tuning of magnetic and electronic order in the recently reported magnetic Cr2Ti…
Graphene nanoplatelets induced tailoring in photocatalytic activity and antibacterial characteristics of MgO/graphene nanoplatelets nanocomposites
Aqsa Arshad, Javed Iqbal, M. Siddiq +5
The synthesis, physical, photocatalytic, and antibacterial properties of MgO and graphene nanoplatelets (GNPs) nanocomposites are reported. The crystallinity, phase, morphology, ch…
A comparative study of CO adsorption on flat, stepped and kinked Au surfaces using density functional theory
F. Mehmood, A. Kara, T. S. Rahman +1
Our ab initio calculations of CO adsorption energies on low miller index (111), (100), stepped (211), and kinked (532) gold surfaces show a strong dependence on local coordination…
A comparative study of the energetics of CO on stepped and kinked Cu surfaces using density functional theory
Faisal Mehmood, Abdelkader Kara, Talat S. Rahman +1
Our ab initio calculations of CO adsorption on several low and high miller index surfaces of Cu show that the adsorption energy increases as the coordination of the adsorption site…
C and S induces changes in the electronic and geometric structure of Pd(533) and Pd(320)
Faisal Mehmood, Sergey Stolbov, Talat S. Rahman
We have performed ab initio electronic structure calculations of C and S adsorption on two vicinal surfaces of Pd with different terrace geometry and width. We find both adsorbates…
First principles study of the electronic and geometric structure of Cu(532)
Faisal Mehmood, Abdelkader Kara, Talat S. Rahman
Using density functional theory with the generalized gradient approximation and ultra-soft pseudo-potentials, we have calculated structural relaxations of the Cu(532) surface which…