Surprising New Bohr Models for H2and H2+

Niels Bohr constructed the first version of quantum mechanics. It has been called “old quantum mechanics” with a connotation of being obsolete. It is logically consistent, however, and deserves the name of simple quantum mechanics (SQM). It differs only from the semiclassical approximation by assuming that the average position and average velocity of an electron can be sharply defined on closed orbits. This assumption does not contradict Heisenberg’s uncertainty relations, since the quantization rule means that the electron can be anywhere on this orbit when it allows for stationary waves. This approach was remarkably efficient for one electron in hydrogen atoms and even for the electron pair in hydrogen molecules. However, dissociation of H2 and determination of the orbit of the single electron in H2+led to problems that remained unsolved for more than 100 years. Their solution, presented here, yields more physical insight and reveals, for instance, that mutual polarization of two hydrogen atoms can yield a metastable state.

Charge Resonance Enhanced Multiple Ionization of H2O Molecules in Intense Laser Fields

We perform a kinetically complete measurement on the fragmentation of Coulomb explosion of 1-120 molecules in intense few-cycle linearly and circularly polarized laser fields. Both the fragmentations of 1t203＋ and H204＋ reveal the concerted pathway of dissociation. The length of the OH bond prior to the Coulomb explosion of both molecular ions is sensitive to the laser pulse duration and laser intensity. However, the bending angle of H-O-H is less sensitive to the pulse duration and laser intensity. We introduce the mechanism of charge resonance enhanced double ionization to elucidate the triple （or quadruple） dissociative ionization dynamics of H20, in which two electrons are non-adiabatically localized at the protons of the precursor ion H2O^＋ （or H2O^2＋） and are released simultaneously due to the over barrier ionization in the combined laser field and molecular ionic potential. Such charge resonance enhanced multiple ionization is not suppressed in few-cycle laser fields and elliptically polarized laser fields.

A STUDY ON THE INTERACTION BETWEEN CH_3OH AND H_2CO MOLECULES IN TERMS OF THE PROPERTIES OF CHARGE DENSITY DISTRIBUTIONS

Two possible complexes formed by the interaction of CH_3OH and H_2CO,one hydrogen-bonded (Ⅰ)and one donor-acceptor complex(Ⅱ),have been reported in the previous paper.Based on the ab initio 6-31G basis set calculations,the properties of the charge density for the complexeshave been analyzed using the theory of atoms in molecules.The nature of the complex formation has been discussed in terms of the properties of the charge density distributions.

Controllable preparation of ultrathin 2D BiOBr crystals for high-performance ultraviolet photodetector

Ternary layered compound materials(bismuth oxyhalides and metal phosphorus trichalcogenides)stand out in electronic and optoelectronic fields due to their interesting physical properties.However,few studies focus on the preparation of high-quality two-dimensional(2D)BiOBr crystals with a typical layered structure,let alone their optoelectronic applications.Here,for the first time,high-quality 2D BiOBr crystals with ultrathin thicknesses(less than 10 nm)and large domain sizes(~100μm)were efficiently prepared via a modified space-confined chemical vapor deposition(SCCVD)method.It is demonstrated that a moderate amount of H2O molecules in the SCCVD system greatly promote the formation of high-quality 2D BiOBr crystals because of the strong polarity of H2O molecules.In addition,a linear relationship between the thickness of BiOBr nanosheets and Raman shift of A1g(1)mode was found.Corresponding theoretical calculations were carried out to verify the experimental data.Furthermore,the BiOBr-based photodetector was fabricated,exhibiting excellent performances with a responsivity of 12.4 A W-1 and a detectivity of 1.6×1013 Jones at 365 nm.This study paves the way for controllable preparation of high-quality 2D BiOBr crystals and implies intriguing opportunities of them in optoelectronic applications.