When a large amount of water is deposited onto a bare h-BN/Rh(111) nanomesh, the formation of ordered and stable nano-ice crystals in the pores has been experimentally observed. The present work proposes different possible models for the structure of the observed clusters, based on density functional theory calculations of two-dimensional water lattices adsorbed on free-standing hexagonal BN. T...

Over the past few decades, the synthetic development of ultra-small nanoparticles has become an important strategy in nano-medicine, where smaller-sized nanoparticles are known to be more easily excreted from the body, greatly reducing the risk caused by introducing nano-theranostic agents. Gold nanorods are one of the most important nano-theranostic agents because of their special optical and ...

The topic of this project belongs to focus area #3 of the NSF solicitation: " Micro/Nanoscale Phenom-enology and Metrology. " Nano-structured materials are extremely attractive for applications requiring high strength and ductility. Two such areas are: (1) nano-layered composites for future aerospace applications demanding high strength-to-weight ratios; and (2) next-generation interconnect and...

Over the last three decades there has been significant progress in the first principles methods for calculating the properties of materials at the quantum level. They have largely been based on the local density approximation (LDA) to density functional theory (DFT). However, nanoscience places new demands on these first principles methods because of the thousands to millions of atoms present i...

Red pine leafs were applied for the green method preparation of MgO nano-plates. The MgO nano-plates were used for the one-pot synthesis of dihydropyrano [3,2-c] chromene derivatives. This procedure is very simple and affords excellent yields. MgO nanoplates were synthesized via a simple precipitation method with the using of an extract solution of red pine leaves. The XRD pattern shows a cubic...

X-Ray Raman Spectroscopy (XRS) is used to study the electronic properties of bulk lithium borohydride (LiBH(4)) and LiBH(4) in porous carbon nano-composites (LiBH(4)/C) during dehydrogenation. The lithium (Li), boron (B) and carbon (C) K-edges are studied and compared with calculations of the starting material and intermediate compounds. Comparison of the B and C K-edge XRS spectra of the as-pr...

Red pine leafs were applied for the green method preparation of MgO nano-plates. The MgO nano-plates were used for the one-pot synthesis of dihydropyrano [3,2-c] chromene derivatives. This procedure is very simple and affords excellent yields. MgO nanoplates were synthesized via a simple precipitation method with the using of an extract solution of red pine leaves. The XRD pattern shows a cubic...

We consider a nano-system connected to measurement probes via non interacting leads. When the electrons interact inside the nano-system, the coefficient |ts(EF )| describing its effective transmission at the Fermi energy EF ceases to be local. This effect of electron-electron interactions upon |ts(EF )| is studied using a one dimensional model of spinless fermions and the Hartree-Fock approxima...