Origin of the direct band gap of Li2CN2 is studied by first-principles calculations. For this purpose, electronic structure of Li2CN2 is compared with that of a hypothetical body centered tetragonal [CN2] lattice equivalent to Li2CN2 in the number of valence electrons. Li2CN2 can be viewed...
The valence (active) part of the MRexpT cluster operator, however remains disconnected. Consequently, the MRexpT correlation energy scales linearly with the number of non-active electrons as single reference coupled cluster does while MRexpT additionally can treat multi reference cases. Therefore, MR...
Nature Communications volume 6, Article number: 8347 (2015) Cite this article 6041 Accesses 1 Altmetric Metrics details Abstract Laser filamentation generated when intense laser pulses propagate in air has been an attractive phenomenon having a variety of potential applications such as detection and ...
1.planetary electrons 轨道电子 2.inner-shell electrons 内壳层电子 3.electron atmosphere 电子云 4.electron microscope 电子显微镜 5.valence electron [物化]价电子;原子价电子;价电子数;化合价电子 6.electron capture [物]电子俘获;电子捕获;轨道电子俘获;子捕捉 7.electron affinity 电子亲和力;[物化]电子亲和...
10.1o88/o256—307X/27/8/083202 ResearchonmultiphotonionizationfMPI) of atomsinultrashortintenselaserfieldshasbeenad— vancingthe understandingofstrongfieldatomic physicsfordecades【l,2JIthasbeengenerallyaccepted thatvalenceelectronsfromtheoutmostatomicorbital playamajorroleintheionizationdynamics.0neex— ample...
Nature Communications volume 9, Article number: 3200 (2018) Cite this article 7863 Accesses 71 Citations 19 Altmetric Metrics details Abstract The FeMo-cofactor of nitrogenase, a metal–sulfur cluster that contains eight transition metals, promotes the conversion of dinitrogen into ammonia when stored...
aSulfate radicals, as a strong oxidizing agent, most likely gain electrons from the reductive ammonia nitrogen (NH3 and NH4þ), so that the nitrogen of ammonia is oxidized to a higher valence state (e.g. N2). Furthermore, persulfate significantly removed ammonia only at a high dose (S2O2...
Sulfate radicals, as a strong oxidizing agent, most likely gain electrons from the reductive ammonia nitrogen (NH3 and NH4þ), so that the nitrogen of ammonia is oxidized to a higher valence state (e.g. N2). 为氨撤除,在TPO期间被生产的硫酸盐基础能有效地取消氨,象鳕鱼。 硫化基础,作为一...
(specific surface area lower than HN-CN), indicating that the number of vents was not the main factor for the increase in specific surface areas. The significant increase in the specific surface area of the samples synthesized by a protonated precursor is mainly attributable to the formation of...
To this end, gold nanoparticles, having a shape of at least one of a plate flake, a sphere and a polyhedron with the size of 0.5-10 nm, while a gold atom (Au) has a number of valence electrons of 0, are dispersed at concentration of 1-1000 ppm. In addition, regarding the gold ...