Anisotropic transport properties of tungsten disulfide
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Upon treating elemental S with [AgSbF6], [AgAl(hfip)4], [AgAl(pftb)4] (hfip = OCH(CF3)2, pftb = OC(CF3)3), [Ag(S8)2][SbF6] (1), [AgS8][Al(hfip)4] (2), and [Ag(S8)2]+[Al(pftb)4]- (3) formed in SO2 (1), CS2 (2), or CH2Cl2 (3). 1-3 Were characterized by singl ...
Good quality ab initio calcns. (MP2) show that the water adducts of BX3 and CX3+ have totally different structures (X = F-I). While all H2O-BX3 complexes have classical Cs sym. structures with strong B-O bonds and addnl. H-bonding, the heavier CX3+ cations ...
The structure of ultrathin NaCl films on Au(1 1 1) and on Au(11 12 12), as well as the one of bimolecular 3,4,9,10-perylenetetracarboxylic diimide (PTCDI) and 1,4-bis-(2,4-diamino-1,3,5,-triazine)-benzene (BDATB) islands on NaCl films on both surfaces have ...
Ru(II) and Os(II) p-cymene dichloride complexes with either a pta (1,3,5-triaza-7-phosphatricyclo[3.3.1.1]decane) or [pta-Me]Cl ligand which exhibit anticancer activity were prepd. and characterized by 1H and 31P NMR spectroscopy and mass spectrometry. Thr ...
Many natural products of biological interest contain [6,5]- and [6,6]-spiroketal moieties that can adopt various configurations, benefiting or not from anomeric conformation stabilizing effects. The spiroketal fragments are often important for the biologic ...
The formation of resin fillet between honeycomb core cell walls and skin in light sandwich structures was studied to gain a better understanding of the bonding process. A method was developed for tailoring the amount of adhesive between 8 and 80 g/m2. The ...
This paper reports the impressive mechanical properties of 1 μm thick carbon-containing SiOx gas barrier coatings, characterised using the uniaxial fragmentation test. Such coatings have been found to act as excellent barriers to water vapour permeation pa ...
Natural bond orbital (NBO) and topological electron density analyses have been used to investigate the electronic structure of phosphazenes [N3P3R6] (R = H, F, Cl, Br, CH3, CF3, N(C2H4< ...
Using a first-principles approach, we investigate nitrogen bonding configurations at nitrided Si(001) surfaces and Si(001)-SiO2 interfaces by comparing calculated core-level shifts with measured photoemission spectra. Fully relaxed model structures are gen ...
Extensive molecular dynamics simulation studies of particles interacting via a short-ranged attractive square-well potential arc reported. The calculated loci of constant diffusion coefficient D in the temperature-packing fraction plane show a reentrant be ...