We have studied the effect of hydrogen on the cohesion of two types of dislocation in bcc iron at an atomistic level, using the atom superposition and electron delocalization molecular orbital (ASED-MO) method. The most stable positions for one hydrogen at each dislocation core were determined....
By using the Mathematica and perturbation theory,the energy level splitting(n=2-7)for the hydrogen atom in a stronger magnetic field is computed.The applicable condition of perturbation method is discussed.The numerical results show that:In general,the degeneracy of energy level(n=2-7)can be co...
The 1s orbital in a hydrogen atom is the most stable condition and is called the ground state and an electron living in this orbital is most strongly sustained by the nucleus. An electron in the 2s, 2p or higher orbitals in a hydrogen atom is in an excited state. Solved Examples 1. Wh...
安徽工业大学雷智平Carbon Energy:大电流密度下TiO2/C析氢性能调控(点击查看中文简介) Regulation of hydrogen evolution performance of titanium oxide–carbon composites at high current density with a Ti–O hybrid orbital Meichen Liu, Zhiping Lei, Qing...
Environmental contamination by carbapenem-resistant Acinetobacter baumannii: The effects of room type and cleaning methods Objective: We evaluated environmental contamination by carbapenem-resistant Acinetobacter baumannii (CRAB), the effectiveness of cleaning practices, the performance of aerosolized hydrogen-perox...
Extended double zeta Gaussian basis SCF LCAO MO calculations have been performed on various configurations of the linearly hydrogen-bonded water dimer and two of the triplet clusters which occur in both cubic and hexagonal ices. A hydrogen bond energy of −4.72 kcal/mole was found for the dimer...
However, the narrow electrochemical stability window (1.23 V), imposed by hydrogen and oxygen evo-lution, constrains the overall energy density of batteries. The revolutionary ‘‘water-in-salt” electrolytes considerably expand the electrochemical stability window to 3 or even 4 volts, giving rise ...
They correspond to the transition structures for the rearrangement of 2→1 (3,Cs) and the 1,3-hydrogen migration of 1 (4,C2v). The barriers to these reactions are calculated to be 83 and 100 kJ mol−1, respectively. 展开 DOI: 10.1016/0166-1280(89)85107-3 年份: 1989 ...
The development of seawater electrolysis for green hydrogen production is crucial to addressing energy shortages. Here, the authors report that integrating NiFe sulfides with MXene enhances oxygen evolution reaction efficiency and stability, achieving 1000 hours of durability in seawater electrolysis. ...
The substitution effect on hydrogen-bond energy of the Watson−Crick type base pair formation between 1-methylcytosine and chemically modified 9-methylguanine derivatives was evaluated by an ab initio molecular orbital theory. Introduction of an electron-withdrawing group on the 8-position or on the...