Investigation of the correction between the energy of the highest occupied molecular orbital (HOMO) and the logarithm of the OH rate constants of hydrofluorocarbons and hydrofluoroethers. Int J Chem Kinet, 1994, 26(9): 913∼920L. J. Bartolottl,E. O. Edney.Investigation of the correction...
Related to energy of position:potential energy,kinetic energy potential energy n. The energy of a particle or system of particles derived from position, or condition, rather than motion. A raised weight, coiled spring, or charged battery has potential energy. ...
Side‐chain effects on the morphology and properties of fluorene‐based alternating copolymers The energy levels of the highest occupied molecular orbital and the lowest unoccupied molecular orbital of the polymers were estimated to be - 5.76 to - ... P Chen,G Yang,C Wang,... - 《Polymer ...
For every molecule, two of its molecular orbitals are of particular interest. One is the highest occupied molecular orbital (HOMO) which is the highest energy MO that has any electrons in it. And the second is the lowest unoccupied molecular orbital (LUMO) which is the lowest energy place ...
Especially, the ZR1-S-Cl exhibited the best absorption ability, lowest higher occupied molecular orbital (HOMO) energy level and highest crystallinity among three donors, resulting in the corresponding all-small-molecule organic solar cells to produce a high power conversion efficiency (PCE) of 12.05...
The energy level of the highest occupied molecular orbital (HOMO) is low and that of the lowest unoccupied molecular orbital (LUMO) is high, which makes it difficult to remove electrons from the HOMO for oxidation or to donate electrons to the LUMO for reduction. All of these structural ...
(i) is replaced by a universal curve relating μ/N4/3andE/N7/3. Finally, in an appendix, we establish the connection between the Euler equation of the density functional treatment of Hartree–Fock theory and the Schrödinger equation for the highest occupied molecular orbital (HOMO). 展开 ...
The magnitude of the electrolyte stability windows can be used to inform whether an electrolyte will decompose at the potential of the electrodes. To a first approximation, decomposition requires that the highest occupied molecular orbital (HOMO) of the liquid electrolyte is lower than the CBM of ...
By replacing the oxygen atom on HEM with sulfur (from TPP-OMeTAD to TPP-SMeTAD), it effectively lowers the highest occupied molecular orbital of the molecule and provides stronger Pb. S interaction with perovskites, leading to efficient charge extraction and surface traps passivation. The ...
highest occupied molecular orbital (HOMO) levels of the donors were determined from the first redox peaks of cyclic voltammograms (Supplementary Fig.2) and the HOMO levels of DMDTB (−4.9 eV) and TTB (−5.0 eV) were found to be slightly deeper than that of TMB (−4.8 eV) ...