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Lumo and humo
Lumo and humo














Electrons and holes are extracted more quickly, which prevents them from recombining or getting trapped at defects. On the other hand, the output current is optimized by larger energy drops. Therefore, the output voltage is optimized by smaller energy drops. It is given by the HOMO-LUMO gap, minus the sum of all energy drops between adjacent levels (LUMO - Acceptor - Negative Contact, Positive Contact - Donor - HOMO). The energy difference eV open between the two electrodes determines the open circuit output voltage The excited electron eventually lands at the negative electrode (far left), travels around the external electrical circuit (not shown), and ends up at the positive electrode on the far right. These four energy levels can all be varied independently to optimize the performance of a solar cell.

#Lumo and humo plus

In addition, one needs an electron acceptor level to extract the excited electron, plus an electron donor level to refill the hole. In a dye molecule, the excited electron sits in the LUMO (lowest unoccupied molecular orbital), while the hole is located at the HOMO (highest occupied molecular orbital). The most generic solar cell involves of course a light absorber, where an incoming photon creates an electron-hole pair. The key to the performance of a solar cell are the energy levels of its components (shown above). We are trying to take advantage of their high performance and to replicate their capabilities in smaller, more robust molecules. These biomolecules have been optimized by nature for billions of years. In biological charge transfer processes, a very useful property when it comes to separating electrons and holes in a solar cell. The latter is a small protein that plays a role Such as chlorophyll, hemoglobin, and cytochrome c. These molecules mimic the active center of biomolecules, Porphyrins and phthalocyanines and their variations have been rather popular as dye molecules for solar cells. Dye-sensitized solar cells are of particular interest here, because they combine a large variety of materials, such as oxide nanoparticles, electrolytes, and organic dye molecules which can be tailored in many different ways. To speed up the development of solar cells with better efficiency at lower cost. This project started with the idea of using sophisticated analysis techniques based on Versions 12 and higher have bromine-containing molecules.New Materials for Solar Cells New Materials for Solar Cells Versions 8 and higher have a few substituted benzenes with more than six heavy atoms.

  • Six or fewer heavy atoms and twenty or fewer total atoms.
  • See section I.B.1 for a periodic table view.
  • Mostly atoms with atomic number less than than 36 (Krypton), except for most of the transition metals.
  • Ions are indicated by placing + or - at the end of the formula (CH3+, BF4-, CO3-).
  • A comma delimited list of several species may be entered.
  • lumo and humo

    Multiple specifications for an atom will be added.Parentheses may be used to group atoms.If only one of a given atom is desired, you may omit.To specify the amounts of desired elements (e.g., C6H6). Enter a sequence of element symbols followed by numbers.The LUMO (Lowest Unoccupied Molecular Orbital) is the The HOMO (Highest Occupied Molecular Orbital) is the highest-energy orbital You are here: Calculated > Energy > Orbital > HOMO LUMO gap














    Lumo and humo