何成
- 教授
- Supervisor of Doctorate Candidates
- Supervisor of Master's Candidates
- E-Mail:
- Date of Employment:2009-11-25
- Professional Title:教授
- Status:Employed
- Alma Mater:吉林大学
- College:School Of Materials Science And Engineering
- Discipline:Materials Science and Engineering
- Papers
Electronic structures and hydrogen bond network of ambient water and amorphous ices
Release Time:2025-04-30 Hits:
- Date:2025-04-30
- Title of Paper:Electronic structures and hydrogen bond network of ambient water and amorphous ices
- Journal:Chem. Phys. Lett.
- Summary:We calculate the electronic structure of ambient liquid water (ALW) at 298K under a pressure of 0.1MPa using first principle molecular dynamics based on density functional theory. The effect of hydrogen bond (H-bond) on the electronic structure is focused by comparing partial densities of states of low-density amorphous ice (LDA) at 77K and ALW. The results show that the H-bond number in LDA is larger than that in ALW. More complex H-bond networks of ALW than that of LDA have also been found by classical molecular dynamics calculations.
- Co-author:C. He, J. S. Lian, Q. Jiang
- Volume:437
- Page Number:45-49.
- Translation or Not:No
- Date of Publication:2007-03-22