The NO2+NO2^- electron transfer reaction was studied with DFT-B3LYP method at 6-311+G^* basis set level for the eight selected structures:four species favo... ZHOU,ZY Gao,HW 等 - 中国化学:英文版 被引量: 4发...
The total electron density profiles show the distribution of charge densities over the whole domain doped nanostructures. The adsorption energy of NO2 molecule on the doped C3N system is higher than that of NH3 molecule, indicating that NO2 molecule strongly interacts with the C3N system. The ...
In an earlier article, Bohr radius of hydrogen was shown to be the sum of two Golden sections pertaining to the electron and proton. This led to discovering that all bond lengths between same two atoms are sums of two Golden sections rep... R. Heyrovská - 《International Journal of Scie...
Scanning electron microscopic images of the surfaces of 1150 oC for 2 h: (A) x = −0.01, (B) x = 0, (C) x = 0.01, (D) x = 0.02, N(Ea)0.x5+ =xB 0i.00.53T,i(OF3)−xδ =su 0b.s0t4ra;t(eGs )caSlEcMineidmaatges of the ...
Atom force microscopy (AFM) and scanning electronmicroscopy (SEM) images revealed that SWCNTs were assembled between the microelectrodes. SWCNTs were affected by the electrophoretic force which was carried out by the related theoretical analysis in a nonuniform electric field. SWCNT field effect ...
r7]MUELLERMA,YmERRA,DRYERFLFlowre- actorstudiesandkineticmodelingoftheH2/02/NQand CO/Hz0/02/NIreactions[J].InternationalJournalof ChemKinetics,1999,31(10):705-724. r8]LEEC,YANGW,PARRRGDevelopmentofcolle-salvet- ticorrelation-energyformulaintoafunctionaloftheelectron density[J].PhysRevB,1988,37...
The molecular ion NO2 has been stabilized in an argon matrix in sufficient concentration for detection of its antisymmetric stretching fundamental, ν 3 , at 1244 cm1 by electron bombardment or photoionization of matrix‐isolated NO2 and by the interaction of an alkali‐metal atomic beam with NO...
Theoretical Study on the NO2+NO2^— Electron Transfer Reaction The NO2 + NO2 electron transfer reaction was studied with DFT-B3LYP method at 6-311 + G* basis set level for the eight selected structures: four species...
NO2 being more electronegative than H2 induces a large electron withdrawal, whereas H2 results in weak electron injection, explaining the increase/decrease of electrical resistance in n-type WS2, as well as the smaller detection limit measured for NO2 (200 ppb) as compared to the one found ...
The latter are assessed using the Electron Density of Delocalized Bonds (EDDBs) property of delocalized π electrons. The obtained results show that the electronegativity (EN) of the heteroatom has a profound effect on the EA/ED properties of the substituents. This effect is also reflected in ...