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51

Calculation of relative concentrations of E′ centres in amorphous silica

Sanghamitra Mukhopadhyay, Peter V. Sushko, Arthur H. Edwards, Alexander L. Shluger

Journal:

Journal of Non-Crystalline Solids

Year:

2004

Language:

english

File:

PDF, 370 KB

english, 2004

52

Doubly positively charged oxygen vacancies in silica glass

Anna V. Kimmel, Alexander L. Shluger

Journal:

Journal of Non-Crystalline Solids

Year:

2009

Language:

english

File:

PDF, 308 KB

english, 2009

53

Relative energies of surface and defect states: ab initio calculations for the MgO (001) surface

Peter V. Sushko, Alexander L. Shluger, C.Richard A. Catlow

Journal:

Surface Science

Year:

2000

Language:

english

File:

PDF, 802 KB

english, 2000

54

Electronic structure of excited states at low-coordinated surface sites of MgO

Peter V Sushko, Alexander L Shluger

Journal:

Surface Science

Year:

1999

Language:

english

File:

PDF, 731 KB

english, 1999

55

Role of hydrogen atoms in the photoinduced formation of stable electron centers in H-doped

Sushko, Peter V., Shluger, Alexander L., Hayashi, Katsuro, Hirano, Masahiro, Hosono, Hideo

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 517 KB

english, 2006

56

Multiscale model of the manipulation of single atoms on insulating surfaces using an atomic force microscope tip

Trevethan, Thomas, Kantorovich, Lev, Polesel-Maris, Jérôme, Gauthier, Sébastien, Shluger, Alexander

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 331 KB

english, 2007

57

Effect of Protons on the Optical Properties of Oxide Nanostructures

Müller, Markus, Stankic, Slavica, Diwald, Oliver, Knözinger, Erich, Sushko, Peter V., Trevisanutto, Paolo E., Shluger, Alexander L.

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 180 KB

english, 2007

58

Modeling of NC-AFM Imaging of Alkanethiols on the Au (111) Surface

Maria L. Sushko, Alexandros Kalampokidis, Andrei Y. Gal, Alexander L. Shluger

Journal:

Israel Journal of Chemistry

Year:

2008

Language:

english

File:

PDF, 1.26 MB

english, 2008

59

Effect of charged and excited states on the decomposition of 1,1-diamino-2,2-dinitroethylene molecules

Kimmel, Anna V., Sushko, Peter V., Shluger, Alexander L., Kuklja, Maija M.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 701 KB

english, 2007

60

and

McKenna, Keith P., Wolf, Matthew J., Shluger, Alexander L., Lany, Stephan, Zunger, Alex

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 702 KB

english, 2012

61

Atom-resolved imaging of ordered defect superstructures at individual grain boundaries

Wang, Zhongchang, Saito, Mitsuhiro, McKenna, Keith P., Gu, Lin, Tsukimoto, Susumu, Shluger, Alexander L., Ikuhara, Yuichi

Journal:

Year:

2011

Language:

english

File:

PDF, 1.30 MB

english, 2011

62

Modeling proton transfer and polarons in a molecular crystal diamino-dinitroethylene

Kimmel, Anna V., Muñoz Ramo, David, Sushko, Peter V., Shluger, Alexander L., Kuklja, Maija M.

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 540 KB

english, 2009

63

Mechanism of Contrast Formation in Atomic Force Microscopy in Water

Watkins, Matthew, Shluger, Alexander L.

Journal:

Physical Review Letters

Year:

2010

Language:

english

File:

PDF, 1.54 MB

english, 2010

64

The behaviour of oxygen at metal electrodes in HfO2 based resistive switching devices

Bradley, Samuel R., McKenna, Keith P., Shluger, Alexander L.

Journal:

Microelectronic Engineering

Year:

2013

Language:

english

File:

PDF, 1.02 MB

english, 2013

65

Transient Mobility Mechanisms of Deposited Metal Atoms on Insulating Surfaces: Pd on MgO (100)

Gao, David Z., Watkins, Matthew B., Shluger, Alexander L.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 3.76 MB

english, 2012

66

From Insulator to Electride: A Theoretical Model of Nanoporous Oxide 12CaO·7Al 2 O 3

Sushko, Peter V., Shluger, Alexander L., Hirano, Masahiro, Hosono, Hideo

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 324 KB

english, 2007

67

crystals from ab initio embedded cluster calculations

Mysovsky, Andrey S., Sushko, Peter V., Radzhabov, Evgeny A., Reichling, Michael, Shluger, Alexander L.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 617 KB

english, 2011

68

Self-trapped excitons and interstitial-vacancy pairs in oxides

Shluger, Alexander, Georgiev, Mladen, Itoh, Noriaki

Journal:

Philosophical Magazine B

Year:

1991

Language:

english

File:

PDF, 678 KB

english, 1991

69

A computational study of Si–H bonds as precursors for neutral

Ling, Sanliang, El-Sayed, Al-Moatasem, Lopez-Gejo, Francisco, Watkins, Matthew B., Afanas’ev, V.V., Shluger, Alexander L.

Journal:

Microelectronic Engineering

Year:

2013

Language:

english

File:

PDF, 979 KB

english, 2013

70

Optical absorption and luminescence energies of F centers in CaO from ab initio embedded cluster calculations

Carrasco, Javier, Sousa, Carmen, Illas, Francesc, Sushko, Peter V., Shluger, Alexander L.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 675 KB

english, 2006

71

Interaction of Organic Molecules with the TiO 2 (110) Surface: Ab Inito Calculations and Classical Force Fields

Sushko, Maria L., Gal, Andrey Yu., Shluger, Alexander L.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 281 KB

english, 2006

72

Hole Trapping at Surfaces of m -ZrO 2 and m -HfO 2 Nanocrystals

Wolf, Matthew J., McKenna, Keith P., Shluger, Alexander L.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 507 KB

english, 2012

73

Chemistry at corners and edges: Generation and adsorption of H atoms on the surface of MgO nanocubes

Sterrer, Martin, Berger, Thomas, Diwald, Oliver, Knözinger, Erich, Sushko, Peter V., Shluger, Alexander L.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 444 KB

english, 2005

74

Effect of Molecular and Lattice Structure on Hydrogen Transfer in Molecular Crystals of Diamino-dinitroethylene and Triamino-trinitrobenzene

Kimmel, Anna V., Sushko, Peter V., Shluger, Alexander L., Kuklja, Maija M.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 748 KB

english, 2008

75

The interaction of oxygen vacancies with grain boundaries in monoclinic HfO[sub 2]

McKenna, Keith, Shluger, Alexander

Journal:

Applied Physics Letters

Year:

2009

Language:

english

File:

PDF, 447 KB

english, 2009

76

Role of water in atomic resolution AFM in solutions

Watkins, Matthew, Berkowitz, Max L., Shluger, Alexander L.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 5.57 MB

english, 2011

77

Paramagnetic Defect Centers at the MgO Surface. An Alternative Model to Oxygen Vacancies

Ricci, Davide, Di Valentin, Cristiana, Pacchioni, Gianfranco, Sushko, Peter V., Shluger, Alexander L., Giamello, Elio

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 232 KB

english, 2003

78

Role of disorder in incorporation energies of oxygen atoms in amorphous silica

Szymanski, Marek A., Shluger, Alexander L., Stoneham, A. Marshall

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 243 KB

english, 2001

79

Structural dynamics of laser-irradiated gold nanofilms

Daraszewicz, Szymon L., Giret, Yvelin, Naruse, Nobuyasu, Murooka, Yoshie, Yang, Jinfeng, Duffy, Dorothy M., Shluger, Alexander L., Tanimura, Katsumi

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 3.38 MB

english, 2013

80

Determining Adsorption Geometry, Bonding, and Translational Pathways of a Metal–Organic Complex on an Oxide Surface: Co-Salen on NiO(001)

Schwarz, Alexander, Gao, David Z., Lämmle, Knud, Grenz, Josef, Watkins, Matthew B., Shluger, Alexander L., Wiesendanger, Roland

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 865 KB

english, 2013

81

Enhanced N 2 Dissociation on Ru-Loaded Inorganic Electride

Kuganathan, Navaratnarajah, Hosono, Hideo, Shluger, Alexander L., Sushko, Peter V.

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 627 KB

english, 2014

82

Determination of transient atomic structure of laser-excited materials from time-resolved diffraction data

Giret, Yvelin, Naruse, Nobuyasu, Daraszewicz, Szymon L., Murooka, Yoshie, Yang, Jinfeng, Duffy, Dorothy M., Shluger, Alexander L., Tanimura, Katsumi

Journal:

Applied Physics Letters

Year:

2013

Language:

english

File:

PDF, 1.88 MB

english, 2013

83

Asymmetry and long-range character of lattice deformation by neutral oxygen vacancy in α-quartz

Sulimov, Vladimir B., Sushko, Peter V., Edwards, Arthur H., Shluger, Alexander L., Stoneham, A. Marshall

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 589 KB

english, 2002

84

One-center trapping of the holes in alkali halide crystals

Shluger, Alexander L., Gale, Julian D.

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 130 KB

english, 1996

85

Hydrogen Cycle on CeO 2 (111) Surfaces: Density Functional Theory Calculations

Watkins, Matthew B., Foster, Adam S., Shluger, Alexander L.

Journal:

The Journal of Physical Chemistry C

Year:

2007

Language:

english

File:

PDF, 154 KB

english, 2007

86

Modeling disorder in amorphous silica with embedded clusters: The peroxy bridge defect center

Ricci, Davide, Pacchioni, Gianfranco, Szymanski, Marek A., Shluger, Alexander L., Stoneham, A. Marshall

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 239 KB

english, 2001

87

Identification of intrinsic electron trapping sites in bulk amorphous silica from ab initio calculations

El-Sayed, Al-Moatasem, Watkins, Matthew B., Shluger, Alexander L., Afanas’ev, Valeri V.

Journal:

Microelectronic Engineering

Year:

2013

Language:

english

File:

PDF, 592 KB

english, 2013

88

Unambiguous Determination of the Adsorption Geometry of a Metal−Organic Complex on a Bulk Insulator

Lämmle, Knud, Trevethan, Thomas, Schwarz, Alexander, Watkins, Matthew, Shluger, Alexander, Wiesendanger, Roland

Journal:

Year:

2010

Language:

english

File:

PDF, 2.34 MB

english, 2010

89

Mechanisms of Photodesorption of Br Atoms from CsBr Surfaces

Halliday, Matthew T. E., Joly, Alan G., Hess, Wayne P., Sushko, Peter V., Shluger, Alexander L.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 2.21 MB

english, 2013

90

Hydride Ion as a Two-Electron Donor in a Nanoporous Crystalline Semiconductor 12CaO·7Al 2 O 3

Hayashi, Katsuro, Sushko, Peter V., Shluger, Alexander L., Hirano, Masahiro, Hosono, Hideo

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 362 KB

english, 2005

91

Electronic Properties of Structural Defects at the MgO (001) Surface

Sushko, Peter V., Gavartin, Jacob L., Shluger, Alexander L.

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 143 KB

english, 2002

92

Nanoporous Crystal 12CaO·7Al 2 O 3 : A Playground for Studies of Ultraviolet Optical Absorption of Negative Ions

Hayashi, Katsuro, Sushko, Peter V., Ramo, David Muñoz, Shluger, Alexander L., Watauchi, Satoshi, Tanaka, Isao, Matsuishi, Satoru, Hirano, Masahiro, Hosono, Hideo

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 405 KB

english, 2007

93

Dipole−Dipole Interactions and the Structure of Self-Assembled Monolayers

Sushko, Maria L., Shluger, Alexander L.

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 172 KB

english, 2007

94

Functionalized Truxenes: Adsorption and Diffusion of Single Molecules on the KBr(001) Surface

Such, Bartosz, Trevethan, Thomas, Glatzel, Thilo, Kawai, Shigeki, Zimmerli, Lars, Meyer, Ernst, Shluger, Alexander L., Amijs, Catelijne H. M., de Mendoza, Paula, Echavarren, Antonio M.

Journal:

Year:

2010

Language:

english

File:

PDF, 4.00 MB

english, 2010

95

Calibration of embedded-cluster method for defect studies in amorphous silica

Mysovsky, Andrey S., Sushko, Peter V., Mukhopadhyay, Sanghamitra, Edwards, Arthur H., Shluger, Alexander L.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 250 KB

english, 2004

96

Using Metallic Noncontact Atomic Force Microscope Tips for Imaging Insulators and Polar Molecules: Tip Characterization and Imaging Mechanisms

Gao, David Zhe, Grenz, Josef, Watkins, Matthew Benjamin, Federici Canova, Filippo, Schwarz, Alexander, Wiesendanger, Roland, Shluger, Alexander L.

Journal:

Year:

2014

Language:

english

File:

PDF, 6.10 MB

english, 2014

97

Inside Powders: A Theoretical Model of Interfaces between MgO Nanocrystallites

McKenna, Keith P., Sushko, Peter V., Shluger, Alexander L.

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 280 KB

english, 2007

98

Effects of Oxide Roughness at Metal Oxide Interface: MgO on Ag(001)

Ling, Sanliang, Watkins, Matthew B., Shluger, Alexander L.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.44 MB

english, 2013

99

Hydride ions in oxide hosts hidden by hydroxide ions

Hayashi, Katsuro, Sushko, Peter V., Hashimoto, Yasuhiro, Shluger, Alexander L., Hosono, Hideo

Journal:

Nature Communications

Year:

2014

Language:

english

File:

PDF, 1.24 MB

english, 2014

100

Designing Molecular Architecture to Control Diffusion and Adsorption on Insulating Surfaces

Watkins, Matthew, Trevethan, Thomas, Sushko, Maria L., Shluger, Alexander L.

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 331 KB

english, 2008