A new material TH-Ge 0.5 Si C 2 -zz has been discovered, which a direct bandgap and broad application prospect in photoelectric devices. The effect of H/F atom adsorption on the structural parameters electrical properties was studied this paper. In nutshell,bandgap can be notable increased by H adsorption, work function electron affinity energy are decreased. While cannot opened full F atom.

A diverse group of xenobiotics has a high binding affinity to the estrogen receptor (ER), suggesting that it can accommodate large variability in ligand structure. Relationships between xenobiotic structure, binding affinity, and estrogenic response have been suggested to be dependent on the conformational structures of the ligands. To explore the influence of conformational flexibility on ER b...

The 351.1 nm photoelectron spectrum of 1-pyrazolide anion has been measured. The 1-pyrazolide ion is produced by hydroxide (HO(-)) deprotonation of pyrazole in a flowing afterglow ion source. The electron affinity (EA) of the 1-pyrazolyl radical has been determined to be 2.938 +/- 0.005 eV. The angular dependence of the photoelectrons indicates near-degeneracy of low-lying states of 1-pyrazolyl...

Substituted Benzoquinones, Photosystem II Acceptors Benzoquinones (BQ) substituted with alkyl or alkoxy groups 2,5-dimethoxy-3,6-dichloro-/>benzoquinone (DCDMQ), 2,3,5,6-tetramethoxy-/?-benzoquinone (TMQ) have been tested for their electron affinity and site of action in the photosynthetic electron transport chain in whole cells and chloroplasts. Both the substituted compounds were found to be ...

Compared with abstract pure mathematical representation of a system and rough engineering drawings, the concept of bond graphs provide us a unique graphical view based on energy interactions among different domains. Bond graphs sit in the middle between equation sets and schematic block graphs, combining most of the advantages from both. The bond graph approach has already been shown to be effe...

Relativistic Density Functional Theory (DFT) based methods coupled with the Conductor-like Screening Model (COSMO) for a realistic solvation approach are used to investigate the electron affinity (EA) of a series of triscyclopentadienyl uranium complexes Cp(3)UX (X = Cl, BH(4), SPh, S(i)Pr and O(i)Pr) related to the U(iv)/U(iii) redox system. E(1/2) half-wave potentials have been measured in so...

the monte carlo method can be used to describe any technique that approximates solutions to quantitative problems through statistical sampling. this method is considered to be the most accurate method for dose calculation in radiotherapy. for complete modeling of a linear accelerator, it is required that the manufactured information covers all data, but some data such as primary electron energy...