Herein, we propose nitrogen (N)-intercalated Pd metallene nanoribbons (N–Pd MNRs), which exhibit favorable and stable oxygen reduction reaction (ORR) performance in alkaline media. The ultrathin configuration of the N–Pd MNRs exposes more atoms, thus acting as active sites. More importantly,...
The electronic structures and spectra of nitromethane and nitrogen dioxide have been calculated by a semiempirical method. The self‐consistent molecular o... McEwen,K Lenore - 《Journal of Chemical Physics》 被引量: 66发表: 1960年 Molecular electron affinities and the calculation of the temperature...
Manganese, calcium, nitrogen, oxygen, carbon, and hydrogen atoms are shown in purple, green, blue, red, gray, and white, respectively. Nonpolar H atoms are omitted for clarity. The Ca2+ ion of the Mn4O5Ca cluster, which can be removed from and reconstituted into the OEC (19, 20, 21...
Molecular structures in the crystal.aThe [Y(Cp′)3]−anion in1. bThe [Sc{(N(SiMe3)2}3]−anion in4. Grey unlabelled atoms are carbon; blue unlabelled atoms are nitrogen. H-atoms omitted for clarity Full size image Table 1 Observedg-values and hyperfine coupling constants for1–4in ...
to the experimentally observed level isotope shifts (LIS) of the even-parity levels for finding the percentage composition of each configuration being mixed. An FTS spectrum of Gd I in the region of 365???495???nm acquired employing the highly enriched Gd isotopes in liquid nitrogen cooled ...
defining a doubled super cell using six of the available wyckoff positions. in these position, it is possible to set the 32 n and 32 sc atoms and can be used to make eight stoichiometric points in the sc–n compositional range. the results show significant trends. for low nitrogen ...
able to enhance HER catalytic activities31. A synergistic strategy of doping nitrogen and intercalating PO43−is reported, which can convert 2H- to 1T-phase with a conversion rate of up to 41%, and has excellent HER performance32. However, the electronic transport capacity and phase stability...
We mainly do engine parts and electrical parts, we aim at nicer auto parts, our main products have engine computer control modules(include ecu), urea pump ,SCR spare parts,urea pump filters,filters,nitrogen oxygen sensors, sensors,engine wiring harness,fuel injector(include nozzle),brake pads, ...
In those studies, it carried out the values of 2.50 μB and 2.967 μB, respectively, for the FM configuration of the cubic structures. Table 2. Spin magnetic moments (in μB) in cubic SrMO3 (M = Mn and Co), calculated using GGA, GGA + SOC, GGA + U and GGA + SOC + U within...
configurations after optimization, with very negative adsorption energies in theory (Supplementary Fig.22). Moreover, XANES simulation curves with these models matched well with Co1-N3O1coordination configuration (Fig.2g), further confirming the possibility of Co1-N3O1coordination structure in all Co ...