We present a comparative density functional study of the adsorption of hydrogen on bilayer graphene. Six different exchange-correlation functionals are employed to explore the possible configurations of hydrogen ad- sorption ...

We study Li on graphene using the Vienna ab initio Simulation Package employing the projector-augmented wave method within the generalized gradient approximation for the exchange-correlation potential. We give detailed ...

Density functional theory (DFT) within the generalized gradient approximation (GGA) has been used to study the structural and electronic properties of Eu3þ defect complexes in GaN under Ga-rich conditions. Two distinct ...

In this work, we present ab-initio calculation results of Ge di-interstitials (I2(Ge)) in the framework of the density functional theory (DFT) using the Heyd, Scuseria, and Ernzerhof (HSE) hybrid functional. The formation ...

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Current-voltage characteristics of Au/Ni/n-GaN Schottky contacts have been measured in the 60-320 K temperature range. The zero bias barrier height, bo  and ideality factor, n have been studied as a function of temperature. ...

For a two-dimensional quantum-mechanical problem, we obtain a generalized power series expansion of the S-matrix that can be done near an arbitrary point on the Riemann surface of the energy, similar to the standard ...

We report on the studies carried out on hydrogen peroxide treated melt grown, bulk single crystal ZnO samples. Results show the existence of two shallow donors in the as-received ZnO samples with energy levels (37.8 ± ...

It has already been established that the quaternary structure of the main light-harvesting complex (LH2) from the photosynthetic bacterium Rhodopseudomonas palustris is a nonameric ‘ring’ of PucAB heterodimers and under ...