Fingerprint Dive into the research topics where Chemistry PhD Program is active. These topic labels come from the works of this organization's members. Together they form a unique fingerprint.

Green's function Chemical Compounds
Hubbard model Chemical Compounds
Electrons Chemical Compounds
Molecules Chemical Compounds
Hydrogen Chemical Compounds
Gene Conversion Chemical Compounds
Excitation energy Chemical Compounds
Green's functions Physics & Astronomy

Research Output 1970 2014

2 Citations (Scopus)

Adaptive cluster expansions and redox-dependent atomic ordering

Dalach, P., Ellis, D. E. & Van De Walle, A., Feb 15 2014, In : Computational Materials Science. 83, p. 207-211 5 p.

Research output: Contribution to journalArticle

Cluster Expansion
expansion
Dependent
Yttria stabilized zirconia
Methodology
5 Citations (Scopus)

Structure and reactivity of zero-, two- and three-dimensional Pd supported on SrTiO3(001)

Stoltz, S. E., Ellis, D. E. & Bedzyk, M. J., Jan 1 2014, In : Surface Science. 630, p. 46-63 18 p.

Research output: Contribution to journalArticle

reactivity
Atoms
Substrates
Adsorbates
Carbon Monoxide
14 Citations (Scopus)

The strain effect on colossal oxygen ionic conductivity in nanoscale zirconia electrolytes: A first-principles-based study

Li, F., Lu, R., Wu, H., Kan, E., Xiao, C., Deng, K. & Ellis, D. E., Feb 28 2013, In : Physical Chemistry Chemical Physics. 15, 8, p. 2692-2697 6 p.

Research output: Contribution to journalArticle

sandwich structures
Ionic conductivity
zirconium oxides
ion currents
Electrolytes