A. Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K. Proc. Natl Acad. Sci. USA 114, 1795–1800 (2017). CAS PubMed Google Scholar Cheng, T., Xiao, H. & Goddard, W. A. Nature of the ...
A full description of a given tensor network contraction requires two pieces of information: tensor operands and the topology of the tensor network (tensor connectivity hyper-graph). A tensor network in the cuTensorNet library is represented by the cutensornetNetworkDescriptor_t descriptor that effecti...
DownLoad: Full-Size Img PowerPoint 2.2 Pyroxene hornblendite and gabbro from the North China craton The North China craton is one of the oldest continental nuclei on earth (Liu et al., 1992), originated from the collision between the Yanliao and Ordos blocks in the Paleoproterozoic (1.85 ...
CUTENSORNET_CONTRACTION_OPTIMIZER_CONFIG_SIMPLIFICATION_DISABLE_DR: If set to 1, simplification will be skipped. This will run the path-finding algorithm on the full tensor network, increasing the time needed. Default is 0. While simplification helps lower the FLOP count in most cases, it may ...
Download: Download full-size image Fig. 5. The influence of different y-dose to neutron ratios as function of the integrated neutron flux on the A) 64Cu yield (yield=CPMHClfraction(s)∑1iCPMifractions), B) Specific activity (SA). In all cases the mass of Cu(II)-phthalocyanine was 20...
Full size image As experiments are performed in the gaseous phase and not in a single crystal, we have calculated the isotropic and anisotropic components of the dielectric tensor. The former involves only pair correlators along the same spatial directions, whereas the latter also incorporates non-...
Full size image Based on the ESCA calculation, we conclude that an excess supply of ionomer content on the catalyst may wrap the catalyst and block the catalyst sites leading to a decrease in mass transport. This would be manifested in the form of reduced current intensity from the fuel cell...
We investigate the electronic structure of the clean Cu(100) surface both by high-resolution angular-resolved ultraviolet photoelectron spectroscopy and by ab initio full potential linear muffin tin orbital calculations. The experimental energy and angular high resolution allows us to distinguish surface ...
The full width at half maximum (FWHM) of the (111) peak was 0.394o. Upon increasing the sulfurization time from 30 to 60 min, Sb2S3 remained in the secondary phase, and the broadening of the (111) peak decreased from 0.3936 to 0.344o, indicating an increase in the crystallite size ...
While one may not consider copper being used for something other than coins, it is a crucial element in the creation of bronze. Historically, copper was the first metal to be worked by people. The discovery that it could be hardened with a little tin to form the alloy bronze gave the na...