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1

First-principles calculations on structure and properties of amorphous Li5P4O8N3 (LiPON)

Sicolo, Sabrina, Albe, Karsten

Journal:

Journal of Power Sources

Year:

2016

Language:

english

File:

PDF, 1.56 MB

english, 2016

2

Interfacial instability of amorphous LiPON against lithium: A combined Density Functional Theory and spectroscopic study

Sicolo, Sabrina, Fingerle, Mathias, Hausbrand, René, Albe, Karsten

Journal:

Journal of Power Sources

Year:

2017

Language:

english

File:

PDF, 2.17 MB

english, 2017

3

Charging and stabilization of Pd atoms and clusters on an electron-rich MgO surface

Sabrina Sicolo, Gianfranco Pacchioni

Journal:

Surface Science

Year:

2008

Language:

english

File:

PDF, 1.39 MB

english, 2008

4

A DFT study of PtAu bimetallic clusters adsorbed on MgO/Ag(100) ultrathin films

Sicolo, Sabrina, Pacchioni, Gianfranco

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.29 MB

english, 2010

5

A Route toward the Generation of Thermally Stable Au Cluster Anions Supported on the MgO Surface

Pacchioni, Gianfranco, Sicolo, Sabrina, Valentin, Cristiana Di, Chiesa, Mario, Giamello, Elio

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 841 KB

english, 2008

6

CO Adsorption on One-, Two-, and Three-Dimensional Au Clusters Supported on MgO/Ag(001) Ultrathin Films

Sicolo, Sabrina, Giordano, Livia, Pacchioni, Gianfranco

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 4.19 MB

english, 2009

7

Interaction of CO with Electron-Rich Defects on MgO(100)

Sicolo, Sabrina, Sauer, Joachim

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.56 MB

english, 2013

8

Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; a DFT investigation

Sicolo, Sabrina, Bruschi, Maurizio, Bertini, Luca, Zampella, Giuseppe, Filippi, Giulia, Arrigoni, Federica, De Gioia, Luca, Greco, Claudio

Journal:

International Journal of Hydrogen Energy

Year:

2014

Language:

english

File:

PDF, 1.55 MB

english, 2014

9

Adsorption of Late Transition Metal Atoms on MgO/Mo(100) and MgO/Ag(100) Ultrathin Films: A Comparative DFT Study

Sicolo, Sabrina, Giordano, Livia, Pacchioni, Gianfranco

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 1.26 MB

english, 2009

10

Concentration of Vacancies at Metal-Oxide Surfaces: Case Study of MgO(100)

Richter, Norina A., Sicolo, Sabrina, Levchenko, Sergey V., Sauer, Joachim, Scheffler, Matthias

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 390 KB

english, 2013

11

Structure and ESR properties of self-trapped holes in pure silica from first-principles density functional calculations

Sicolo, Sabrina, Palma, Giorgio, Di Valentin, Cristiana, Pacchioni, Gianfranco

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 336 KB

english, 2007

12

Observable consequences of formation of Au anions from deposition of Au atoms on ultrathin oxide films

Giordano, Livia, Martinez, Umberto, Sicolo, Sabrina, Pacchioni, Gianfranco

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 811 KB

english, 2007

13

High Pressure Synthesis of Novel Boron Oxynitride ‘B 6 N 4 O 3 ’ with Sphalerite Type Structure

Bhat, Shrikant, Wiehl, Leonore, Molina-Luna, Leopoldo, Mugnaioli, Enrico, Lauterbach, Stefan, Sicolo, Sabrina, Kroll, Peter, Duerrschnabel, Michael, Nishiyama, Norimasa, Kolb, Ute, Albe, Karsten, Klee

Journal:

Chemistry of Materials

Year:

2015

Language:

english

File:

PDF, 1.10 MB

english, 2015

14

Local structural investigations, defect formation and ionic conductivity of the lithium ionic conductor Li 4 P 2 S 6

Dietrich, Christian, Sadowski, Marcel, Sicolo, Sabrina, Weber, Dominik A., Sedlmaier, Stefan J., Weldert, Kai S., Indris, Sylvio, Albe, Karsten, Janek, Jürgen, Zeier, Wolfgang G.

Journal:

Chemistry of Materials

Year:

2016

Language:

english

File:

PDF, 7.35 MB

english, 2016

15

Reaction and Space Charge Layer Formation at the LiCoO 2 –LiPON Interface: Insights on Defect Formation and Ion Energy Level Alignment by a Combined Surface Science–Simulation Approach

Fingerle, Mathias, Buchheit, Roman, Sicolo, Sabrina, Albe, Karsten, Hausbrand, René

Journal:

Chemistry of Materials

Year:

2017

Language:

english

File:

PDF, 2.41 MB

english, 2017

16

Defect thermodynamics and interfacial instability of crystalline Li 4 P 2 S 6

Sadowski, Marcel, Sicolo, Sabrina, Albe, Karsten

Journal:

Solid State Ionics

Year:

2018

Language:

english

File:

PDF, 1.33 MB

english, 2018

17

Diffusion mechanism in the superionic conductor Li 4 PS 4 I studied by first-principles calculations

Sicolo, Sabrina, Kalcher, Constanze, Sedlmaier, Stefan J., Janek, Jürgen, Albe, Karsten

Journal:

Solid State Ionics

Year:

2018

Language:

english

File:

PDF, 1.68 MB

english, 2018

18

From LiNiO 2 to Li 2 NiO 3 : Synthesis, Structures and Electrochemical Mechanisms in Li-Rich Nickel Oxides

Bianchini, Matteo, Schiele, Alexander, Schweidler, Simon, Sicolo, Sabrina, Fauth, FranÃ§ois, Suard, Emmanuelle, Indris, Sylvio, Mazilkin, Andrey, Nagel, Peter, Schuppler, Stefan, Merz, Michael, Hartma

Journal:

Chemistry of Materials

Year:

2020

File:

PDF, 6.73 MB

2020

19

And Yet It Moves: LiNiO 2 , a Dynamic JahnâTeller System

Sicolo, Sabrina, Mock, Markus, Bianchini, Matteo, Albe, Karsten

Journal:

Chemistry of Materials

Year:

2020

File:

PDF, 3.01 MB

2020