Konstantin M. Neyman: search on Z-Library

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1

Modeling Ceria-Based Nanomaterials for Catalysis and Related Applications

Bruix, Albert, Neyman, Konstantin M.

Journal:

Catalysis Letters

Year:

2016

Language:

english

File:

PDF, 8.24 MB

english, 2016

2

Dramatic reduction of the oxygen vacancy formation energy in ceria particles: a possible key to their remarkable reactivity at the nanoscale

Migani, Annapaola, Vayssilov, Georgi N., Bromley, Stefan T., Illas, Francesc, Neyman, Konstantin M.

Journal:

Journal of Materials Chemistry

Year:

2010

Language:

english

File:

PDF, 675 KB

english, 2010

3

How Absorbed Hydrogen Affects the Catalytic Activity of Transition Metals

Aleksandrov, Hristiyan A., Kozlov, Sergey M., Schauermann, Swetlana, Vayssilov, Georgi N., Neyman, Konstantin M.

Journal:

Angewandte Chemie International Edition

Year:

2014

Language:

english

File:

PDF, 897 KB

english, 2014

4

A Combined Density-Functional and IRAS Study on the Interaction of NO with Pd Nanoparticles: Identifying New Adsorption Sites with Novel Properties

Viñes, Francesc, Desikusumastuti, Aine, Staudt, Thorsten, Görling, Andreas, Libuda, Jörg, Neyman, Konstantin M.

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 1.75 MB

english, 2008

5

Greatly facilitated oxygen vacancy formation in ceria nanocrystallites

Bromley, Stefan T., Illas, Francesc, Neyman, Konstantin M., Migani, Annapaola, Vayssilov, Georgi N.

Journal:

Chemical Communications

Year:

2010

Language:

english

File:

PDF, 1.10 MB

english, 2010

6

The role of metal/oxide interfaces for long-range metal particle activation during CO oxidation

Suchorski, Yuri, Kozlov, Sergey M., Bespalov, Ivan, Datler, Martin, Vogel, Diana, Budinska, Zuzana, Neyman, Konstantin M., Rupprechter, Günther

Journal:

Nature Materials

Year:

2018

Language:

english

File:

PDF, 2.49 MB

english, 2018

7

Oxygen vacancies in self-assemblies of ceria nanoparticles

Sk, Mahasin Alam, Kozlov, Sergey M., Lim, Kok Hwa, Migani, Annapaola, Neyman, Konstantin M.

Journal:

Journal of Materials Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.74 MB

english, 2014

8

Revealing chemical ordering in Pt–Co nanoparticles using electronic structure calculations and X-ray photoelectron spectroscopy

Kovács, Gábor, Kozlov, Sergey M., Matolínová, Iva, Vorokhta, Mykhailo, Matolín, Vladimír, Neyman, Konstantin M.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.24 MB

english, 2015

9

Hydrogen Diffusion into Palladium Nanoparticles: Pivotal Promotion by Carbon

Konstantin M. Neyman, Swetlana Schauermann

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 420 KB

english, 2010

10

Destabilization of adsorbed CO on the Pd(1 1 1) surface by subsurface carbon: Density functional studies

Kok Hwa Lim, Konstantin M. Neyman, Notker Rösch

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 212 KB

english, 2006

11

N2and CO molecules as probes of zeolite acidity: an infrared spectroscopy and density functional investigation

Konstantin M. Neyman, Paul Strodel, Sergey Ph. Ruzankin, Norbert Schlensog, Helmut Knözinger, Notker Rösch

Journal:

Catalysis Letters

Year:

1995

Language:

english

File:

PDF, 830 KB

english, 1995

12

Density functional and infrared spectroscopy studies of bonding and vibrations of NH species adsorbed on the Ru(001) surface: a reassignment of the bending mode band

Markus Staufer, Konstantin M. Neyman, Peter Jakob, Vladimir A. Nasluzov, Dietrich Menzel, Notker Rösch

Journal:

Surface Science

Year:

1996

Language:

english

File:

PDF, 1.09 MB

english, 1996

13

Systematic Density Functional Study of the Adsorption of Transition Metal Atoms on the MgO(001) Surface

Yudanov, Ilya, Pacchioni, Gianfranco, Neyman, Konstantin, Rösch, Notker

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 163 KB

english, 1997

14

Effect of Steps on the Decomposition of CH 3 O at PdZn Alloy Surfaces

Chen, Zhao-Xu, Lim, Kok Hwa, Neyman, Konstantin M., Rösch, Notker

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 354 KB

english, 2005

15

CO adsorption on the (001) surface of MgO: a comparison of Hartree-Fock and local density functional results

Pacchionia, Gianfranco, Neyman, Konstantin M., Rosch, Nötker

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1994

Language:

english

File:

PDF, 1.12 MB

english, 1994

16

Using density functional calculations to elucidate atomic ordering of Pd-Rh nanoparticles at sizes relevant for catalytic applications

Vega, Lorena, Aleksandrov, Hristiyan A., Neyman, Konstantin M.

Journal:

Chinese Journal of Catalysis

Year:

2019

File:

PDF, 1.73 MB

2019

17

Density functional cluster description of ionic materials: Improved boundary conditions for MgO clusters with the help of cation model potentials

Ilya V. Yudanov, Vladimir A. Nasluzov, Konstantin M. Neyman, Notker Rösch

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 224 KB

english, 1997

18

Towards size-converged properties of model ceria nanoparticles: Monitoring by adsorbed CO using DFT + U approach

Annapaola Migani, Christoph Loschen, Francesc Illas, Konstantin M. Neyman

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 274 KB

english, 2008

19

Tuning the Surface Chemistry of Pd by Atomic C and H: A Microscopic Picture

Aleksandrov, Hristiyan A., Viñes, Francesc, Ludwig, Wiebke, Schauermann, Swetlana, Neyman, Konstantin M.

Journal:

Chemistry - A European Journal

Year:

2013

Language:

english

File:

PDF, 996 KB

english, 2013

20

Density Functional Studies of Alkali-Exchanged Zeolites. Cation Location at Six-Rings of Different Aluminum Content

Vayssilov, Georgi N., Staufer, Markus, Belling, Thomas, Neyman, Konstantin M., Knözinger, Helmut, Rösch, Notker

Journal:

Journal of Physical Chemistry B

Year:

1999

Language:

english

File:

PDF, 190 KB

english, 1999

21

Calculation of Electronic g -Tensors Using a Relativistic Density Functional Douglas−Kroll Method

Neyman, Konstantin M., Ganyushin, Dmitri I., Matveev, Alexei V., Nasluzov, Vladimir A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 87 KB

english, 2002

22

Octahedrality versus tetrahedrality in stoichiometric ceria nanoparticles

Migani, Annapaola, Neyman, Konstantin M., Bromley, Stefan T.

Journal:

Chemical Communications

Year:

2012

Language:

english

File:

PDF, 1.62 MB

english, 2012

23

Density-functional model cluster studies of EPR g tensors of F[sub s][sup +] centers on the surface of MgO

Di Valentin, Cristiana, Neyman, Konstantin M., Risse, Thomas, Sterrer, Martin, Fischbach, Esther, Freund, Hans-Joachim, Nasluzov, Vladimir A., Pacchioni, Gianfranco, Rösch, Notker

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 215 KB

english, 2006

24

Diffusion von Wasserstoff in Palladium-Nanopartikeln: entscheidende Begünstigung durch Kohlenstoff

Konstantin M. Neyman, Swetlana Schauermann

Journal:

Angewandte Chemie

Year:

2010

Language:

german

File:

PDF, 402 KB

german, 2010

25

Effect of MgO(100) support on structure and properties of Pd and Pt nanoparticles with 49-155 atoms

Kozlov, Sergey M., Aleksandrov, Hristiyan A., Goniakowski, Jacek, Neyman, Konstantin M.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.38 MB

english, 2013

26

Mechanism of Selective Hydrogenation of α,β-Unsaturated Aldehydes on Silver Catalysts: A Density Functional Study

Lim, Kok Hwa, Mohammad, Amjad B., Yudanov, Ilya V., Neyman, Konstantin M., Bron, Michael, Claus, Peter, Rösch, Notker

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 2.26 MB

english, 2009

27

DFT studies of oxygen dissociation on the 116-atom platinum truncated octahedron particle

Jennings, Paul C., Aleksandrov, Hristiyan A., Neyman, Konstantin M., Johnston, Roy L.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.23 MB

english, 2014

28

On the adsorption and formation of Pt dimers on the CeO2(111) surface

Bruix, Albert, Nazari, Fariba, Neyman, Konstantin M., Illas, Francesc

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 738 KB

english, 2011

29

Surface composition of magnetron sputtered Pt-Co thin film catalyst for proton exchange membrane fuel cells

Vorokhta, Mykhailo, Khalakhan, Ivan, Václavů, Michal, Kovács, Gábor, Kozlov, Sergey M., Kúš, Peter, Skála, Tomáš, Tsud, Natalia, Lavková, Jaroslava, Potin, Valerie, Matolínová, Iva, Neyman, Konstantin

Journal:

Applied Surface Science

Year:

2016

Language:

english

File:

PDF, 2.27 MB

english, 2016

30

Adsorption of CO molecules on a MgO(001) surface. Model cluster density functional study employing a gradient-corrected potential

Konstantin M. Neyman, Sergey Ph. Ruzankin, Notker Rösch

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 814 KB

english, 1995

31

Formation of Superoxide Anions on Ceria Nanoparticles by Interaction of Molecular Oxygen with Ce 3+ Sites

Preda, Gloria, Migani, Annapaola, Neyman, Konstantin M., Bromley, Stefan T., Illas, Francesc, Pacchioni, Gianfranco

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 815 KB

english, 2011

32

Microscopic models of PdZn alloy catalysts: structure and reactivity in methanol decomposition

Neyman, Konstantin M., Lim, Kok Hwa, Chen, Zhao-Xu, Moskaleva, Lyudmila V., Bayer, Andreas, Reindl, Armin, Borgmann, Dieter, Denecke, Reinhard, Steinr?ck, Hans-Peter, R?sch, Notker

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.66 MB

english, 2007

33

Adsorption of carbon on Pd clusters of nanometer size: A first-principles theoretical study

Neyman, Konstantin M., Inntam, Chan, Gordienko, Alexei B., Yudanov, Ilya V., Rösch, Notker

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 491 KB

english, 2005

34

Metal nanoparticles as models of single crystal surfaces and supported catalysts: Density functional study of size effects for CO/Pd(111)

Yudanov, Ilya V., Sahnoun, Riadh, Neyman, Konstantin M., Rösch, Notker

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 412 KB

english, 2002

35

Reduced ceria nanofilms from structure prediction

Kozlov, Sergey M., Demiroglu, Ilker, Neyman, Konstantin M., Bromley, Stefan T.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.08 MB

english, 2015

36

ChemInform Abstract: Approaching Nanoscale Oxides: Models and Theoretical Methods

Stefan T. Bromley, Iberio de P. R. Moreira, Konstantin M. Neyman, Francesc Illas

Journal:

Year:

2009

File:

PDF, 15 KB

2009

37

Hydrogen-bonding effects on electronic g-tensors of semiquinone anion radicals: Relativistic density functional investigation

Konstantin M. Neyman, Dmitri I. Ganyushin, Žilvinas Rinkevičius, Notker Rösch

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 170 KB

english, 2002

38

A density functional study of CO adsorption on three- and five-coordinate Al in oxide systems

Konstantin M. Neyman, Vladimir A. Nasluzov, Georgii M. Zhidomirov

Journal:

Catalysis Letters

Year:

1996

Language:

english

File:

PDF, 595 KB

english, 1996

39

Density Functional Study of N 2 Activation by Molybdenum(III) Complexes. Unusually Strong Relativistic Effects in 4d Metal Compounds

Neyman, Konstantin M., Nasluzov, Vladimir A., Hahn, Jutta, Landis, Clark R., Rösch, Notker

Journal:

Organometallics

Year:

1997

Language:

english

File:

PDF, 194 KB

english, 1997

40

Adsorbed and Subsurface Absorbed Hydrogen Atoms on Bare and MgO(100)-Supported Pd and Pt Nanoparticles

Kozlov, Sergey M., Aleksandrov, Hristiyan A., Neyman, Konstantin M.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.92 MB

english, 2014

41

Geometric Arrangement of Components in Bimetallic PdZn/Pd(111) Surfaces Modified by CO Adsorption: A Combined Study by Density Functional Calculations, Polarization-Modulated Infrared Reflection Absorption Spectroscopy, and Temperature-Programmed Desorption

Weilach, Christian, Kozlov, Sergey M., Holzapfel, Harald H., Föttinger, Karin, Neyman, Konstantin M., Rupprechter, Günther

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 2.34 MB

english, 2012

42

Electronic and Geometric Structure of Bimetallic Clusters: Density Functional Calculations on [M 4 {Fe(CO) 4 } 4 ] 4- (M = Cu, Ag, Au) and [Ag 13 {Fe(CO) 4 } 8 ] n - ( n = 0−5)

Albert, Katrin, Neyman, Konstantin M., Pacchioni, Gianfranco, Rösch, Notker

Journal:

Inorganic Chemistry

Year:

1996

Language:

english

File:

PDF, 193 KB

english, 1996

43

Faujasite-Supported Ir 4 Clusters: A Density Functional Model Study of Metal−Zeolite Interactions

Ferrari, Anna Maria, Neyman, Konstantin M., Mayer, Markus, Staufer, Markus, Gates, Bruce C., Rösch, Notker

Journal:

Journal of Physical Chemistry B

Year:

1999

Language:

english

File:

PDF, 113 KB

english, 1999

44

A Surface Site as Polydentate Ligand of a Metal Complex: Density Functional Studies of Rhenium Subcarbonyls Supported on Magnesium Oxide

Hu, Anguang, Neyman, Konstantin M., Staufer, Markus, Belling, Thomas, Gates, Bruce C., Rösch, Notker

Journal:

Journal of the American Chemical Society

Year:

1999

Language:

english

File:

PDF, 44 KB

english, 1999

45

O vacancies on steps on the CeO2(111) surface

Kozlov, Sergey M., Neyman, Konstantin M.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.59 MB

english, 2014

46

Atomically Dispersed Pd, Ni, and Pt Species in Ceria-Based Catalysts: Principal Differences in Stability and Reactivity

Neitzel, Armin, Figueroba, Alberto, Lykhach, Yaroslava, Skála, Tomáš, Vorokhta, Mykhailo, Tsud, Nataliya, Mehl, Sascha, Ševčíková, Klára, Prince, Kevin C., Neyman, Konstantin M., Matolín, Vladimír, Li

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 3.94 MB

english, 2016

47

Theoretical aspects of heterogeneous catalysis: Applications of density functional methods

Konstantin M. Neyman, Francesc Illas

Journal:

Catalysis Today

Year:

2005

Language:

english

File:

PDF, 343 KB

english, 2005

48

Adsorption of Pd atoms and Pd4 clusters on the MgO(001) surface: a density functional study

Ilya V. Yudanov, Stefan Vent, Konstantin Neyman, Gianfranco Pacchioni, Notker Rösch

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 575 KB

english, 1997

49

Modification of structural and chemisorption properties of small palladium clusters supported on the MgO(0 0 1) surface from density functional calculations

Konstantin M Neyman, Notker Rösch, Gianfranco Pacchioni

Journal:

Applied Catalysis A: General

Year:

2000

Language:

english

File:

PDF, 175 KB

english, 2000

50

Density functional embedded cluster calculations on Lewis acid centers of the α-Al2O3(0001) surface: Adsorption of a CO probe

Vladimir A. Nasluzov, Vladimir V. Rivanenkov, Alexey M. Shor, Konstantin M. Neyman, Uwe Birkenheuer, Notker Rösch

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 339 KB

english, 2002

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