The total density of states (TDOS) of the occupied K.-S. energy levels are shown in the middle panel of Fig. 4a. HOMO was ≈−0.8 eV, which was not affected by epoxy adsorption. The projected density of states (PDOS) of O2p (Fig. 4a, bottom of middle panel) shows a ...
In this work, we fabricate single platinum atoms and clusters supported on nitrogen-doped graphene nanosheets (NGNs) for the HER using the ALD technique, resulting in the utilization of nearly all the Pt atoms. The size and density of the Pt catalysts on the NGNs are precisely controlled by...
zh:The concept of the partial charge density of a given band or eigenvalue is basically the same as the local density of states. The summing up the the local density of states for the eigenvalues at a specified band will give the band-decomposed partial charge density. caocao:thanks for yo...
The local density of states (LDOS) provides a description encompassing both the spatial and energetic distribution of the single-particle eigenstates simultaneously. The angular momentum projected density of states (PDOS) decomposes the density of states energetic distribution into angular momentum componen...
Therefore, in the present paper the electronic structure, energy band gap structure and density of states (DOS), partial density of states (PDOS), of the cubic phase of Sr doped BaTiO3 perovskites crystals with detailed optimization of basis set (BS) are discussed. The Sr doped cubic ...
The structure of troglitazone incorporates the pharmacophore for α-tocopherol, an anti-oxidant that has been shown to confer resistance to oxidation on low-density lipoprotein cholesterol [41], [42], [43], [44], [45]. It was hoped that this design element would make troglitazone a ...
For example, it has been documented that union density tends to be higher in the public sector.10 On related grounds, it is argued that a wage premium arises because of differences in the bargaining power within the private and public sectors.11 Other explanations are linked to the degree of...
that are highly unlikely to occur in practice. For this reason, we chose not to use IRLS fitting, but instead to use a maximum likelihood fitting procedure assuming that scatter follows a Lorentzian distribution density. The best-fit parameters from this approach are sometimes called m-estimates....
included the rate of individuals aged over 65, the rate of aboriginal individuals, population density per square kilometer, and socioeconomic status (SES) containing information on median household income, proportion of individuals aged over 15 who have not graduated high school, and unemployment rate...
First, we compared the density of states (DOS) of the most active NiPd@NC with the corresponding SACs (Ni@NC and Pd@NC). As shown in Supplementary Fig.19a, the introduction of additional metal atoms seems to have a limited effect on the shape of the DOS, but the formation of M2dimers...