|
1
|
Origin of photoactivity of nitrogen-doped titanium dioxide under visible light.
|
J Am Chem Soc
|
2006
|
1.25
|
|
2
|
Characterization of paramagnetic species in N-doped TiO2 powders by EPR spectroscopy and DFT calculations.
|
J Phys Chem B
|
2005
|
1.21
|
|
3
|
Excess electrons stabilized on ionic oxide surfaces.
|
Acc Chem Res
|
2006
|
1.00
|
|
4
|
Excess electron states in reduced bulk anatase TiO2: comparison of standard GGA, GGA+U, and hybrid DFT calculations.
|
J Chem Phys
|
2008
|
0.99
|
|
5
|
Theoretical studies on anatase and less common TiO2 phases: bulk, surfaces, and nanomaterials.
|
Chem Rev
|
2014
|
0.90
|
|
6
|
Paramagnetic defect centers at the MgO surface. An alternative model to oxygen vacancies.
|
J Am Chem Soc
|
2003
|
0.89
|
|
7
|
Modeling H-bonding and solvent effects in the alkylation of pyrimidine bases by a prototype quinone methide: a DFT study.
|
J Am Chem Soc
|
2003
|
0.88
|
|
8
|
Surface structure of TiO2(011)-(2x1).
|
Phys Rev Lett
|
2004
|
0.86
|
|
9
|
O2 interaction and reactivity on a model hydroxylated rutile(110) surface.
|
J Phys Chem B
|
2005
|
0.85
|
|
10
|
Nucleation of Pd dimers at defect sites of the MgO(100) surface.
|
Phys Rev Lett
|
2004
|
0.84
|
|
11
|
Transition levels of defect centers in ZnO by hybrid functionals and localized basis set approach.
|
J Chem Phys
|
2010
|
0.83
|
|
12
|
Activation of oxygen on MgO: O2*- radical ion formation on thin, metal-supported MgO(001) films.
|
Angew Chem Int Ed Engl
|
2011
|
0.81
|
|
13
|
Shallow donor states induced by in-diffused Cu in ZnO: a combined HREELS and hybrid DFT study.
|
Phys Rev Lett
|
2011
|
0.81
|
|
14
|
First evidence of a single-ion electron trap at the surface of an ionic oxide.
|
Angew Chem Int Ed Engl
|
2003
|
0.81
|
|
15
|
Copper impurities in bulk ZnO: a hybrid density functional study.
|
J Chem Phys
|
2011
|
0.78
|
|
16
|
Formation of superoxo species by interaction of O(2) with Na atoms deposited on MgO powders: a combined continuous-wave EPR (CW-EPR), hyperfine sublevel correlation (HYSCORE) and DFT study.
|
Chemistry
|
2010
|
0.77
|
|
17
|
When the reporter induces the effect: unusual IR spectra of CO on Au1/MgO(001)/Mo(001).
|
Angew Chem Int Ed Engl
|
2006
|
0.77
|
|
18
|
Control of the intermolecular coupling of dibromotetracene on Cu(110) by the sequential activation of C-Br and C-H bonds.
|
Chemistry
|
2015
|
0.77
|
|
19
|
Band gap engineering of bulk ZrO2 by Ti doping.
|
Phys Chem Chem Phys
|
2011
|
0.75
|
|
20
|
Vibrational and electron paramagnetic resonance properties of free and MgO supported AuCO complexes.
|
J Chem Phys
|
2006
|
0.75
|
|
21
|
Properties of alkali metal atoms deposited on a MgO surface: a systematic experimental and theoretical study.
|
Chemistry
|
2008
|
0.75
|
|
22
|
Single electron traps at the surface of polycrystalline MgO: assignment of the main trapping sites.
|
J Phys Chem B
|
2005
|
0.75
|
|
23
|
Nature of the chemical bond between metal atoms and oxide surfaces: new evidences from spin density studies of K atoms on alkaline earth oxides.
|
J Am Chem Soc
|
2005
|
0.75
|
|
24
|
The development of ever more advanced technologies depends very critically on the definitions of materials with appropriate characteristics.
|
Top Curr Chem
|
2014
|
0.75
|
|
25
|
Hydration structure of the Ti(III) cation as revealed by pulse EPR and DFT studies: new insights into a textbook case.
|
Inorg Chem
|
2011
|
0.75
|
|
26
|
Electron traps on oxide surfaces: (H+)(e-) pairs stabilized on the surface of 17O enriched CaO.
|
Chemphyschem
|
2006
|
0.75
|
|
27
|
Water at the Interface Between Defective Graphene and Cu or Pt (111) Surfaces.
|
ACS Appl Mater Interfaces
|
2017
|
0.75
|
|
28
|
Coverage-induced hydrogen transfer on ZnO surfaces: from ideal to real systems.
|
Angew Chem Int Ed Engl
|
2013
|
0.75
|