Abild-Pedersen, F.: search on Z-Library

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1

Machine Learning for Computational Heterogeneous Catalysis

Schlexer Lamoureux, Philomena, Winther, Kirsten, Garrido Torres, Jose Antonio, Streibel, Verena, Zhao, Meng, Bajdich, Michal, Abild-Pedersen, Frank, Bligaard, Thomas

Journal:

Year:

2019

Language:

english

File:

PDF, 28.79 MB

english, 2019

2

The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts

Behrens, M., Studt, F., Kasatkin, I., Kuhl, S., Havecker, M., Abild-Pedersen, F., Zander, S., Girgsdies, F., Kurr, P., Kniep, B.-L., Tovar, M., Fischer, R. W., Norskov, J. K., Schlogl, R.

Journal:

Year:

2012

Language:

english

File:

PDF, 1.24 MB

english, 2012

3

Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces

Abild-Pedersen, F., Greeley, J., Studt, F., Rossmeisl, J., Munter, T., Moses, P., Skúlason, E., Bligaard, T., Nørskov, J.

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 337 KB

english, 2007

4

Exploring the limits: A low-pressure, low-temperature Haber–Bosch process

Vojvodic, Aleksandra, Medford, Andrew James, Studt, Felix, Abild-Pedersen, Frank, Khan, Tuhin Suvra, Bligaard, T., Nørskov, J.K.

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 859 KB

english, 2014

5

Understanding the Reactivity of Layered Transition-Metal Sulfides: A Single Electronic Descriptor for Structure and Adsorption

Tsai, Charlie, Chan, Karen, Nørskov, Jens K., Abild-Pedersen, Frank

Journal:

The Journal of Physical Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 1.22 MB

english, 2014

6

From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

Medford, Andrew J., Vojvodic, Aleksandra, Hummelshøj, Jens S., Voss, Johannes, Abild-Pedersen, Frank, Studt, Felix, Bligaard, Thomas, Nilsson, Anders, Nørskov, Jens K.

Journal:

Journal of Catalysis

Year:

2015

Language:

english

File:

PDF, 1.36 MB

english, 2015

7

CO hydrogenation to methanol on Cu–Ni catalysts: Theory and experiment

Felix Studt, Frank Abild-Pedersen, Qiongxiao Wu, Anker D. Jensen, Burcin Temel, Jan-Dierk Grunwaldt, Jens K. Nørskov

Journal:

Journal of Catalysis

Year:

2012

Language:

english

File:

PDF, 1.29 MB

english, 2012

8

Tuning the MoS 2 Edge-Site Activity for Hydrogen Evolution via Support Interactions

Tsai, Charlie, Abild-Pedersen, Frank, Nørskov, Jens K.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.64 MB

english, 2014

9

Hydrogenation of CO2 to methanol and CO on Cu/ZnO/Al2O3: Is there a common intermediate or not?

Kunkes, Edward L., Studt, Felix, Abild-Pedersen, Frank, Schlögl, Robert, Behrens, Malte

Journal:

Journal of Catalysis

Year:

2015

Language:

english

File:

PDF, 433 KB

english, 2015

10

Trends in the Thermodynamic Stability of Ultrathin Supported Oxide Films

Plessow, Philipp N., Bajdich, Michal, Greene, Joshua, Vojvodic, Aleksandra, Abild-Pedersen, Frank

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 2.20 MB

english, 2016

11

Theoretical Analysis of Transition-Metal Catalysts for Formic Acid Decomposition

Yoo, Jong Suk, Abild-Pedersen, Frank, Nørskov, Jens K., Studt, Felix

Journal:

Year:

2014

Language:

english

File:

PDF, 508 KB

english, 2014

12

Atomic-scale imaging of carbon nanofibre growth

Helveg, Stig, López-Cartes, Carlos, Sehested, Jens, Hansen, Poul L., Clausen, Bjerne S., Rostrup-Nielsen, Jens R., Abild-Pedersen, Frank, Nørskov, Jens K.

Journal:

Year:

2004

Language:

english

File:

PDF, 268 KB

english, 2004

13

An orbital-overlap model for minimal work functions of cesiated metal surfaces

Chou, Sharon H, Voss, Johannes, Bargatin, Igor, Vojvodic, Aleksandra, Howe, Roger T, Abild-Pedersen, Frank

Journal:

Journal of Physics Condensed Matter

Year:

2012

Language:

english

File:

PDF, 845 KB

english, 2012

14

On the Role of Metal Step-Edges in Graphene Growth

Saadi, Souheil, Abild-Pedersen, Frank, Helveg, Stig, Sehested, Jens, Hinnemann, Berit, Appel, Charlotte C., Nørskov, Jens K.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 2.76 MB

english, 2010

15

Enhancing Electrocatalytic Water Splitting by Strain Engineering

You, Bo, Tang, Michael T., Tsai, Charlie, Abild-Pedersen, Frank, Zheng, Xiaolin, Li, Hong

Journal:

Advanced Materials

Year:

2019

Language:

english

File:

PDF, 7.80 MB

english, 2019

16

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

Peterson, Andrew A., Abild-Pedersen, Frank, Studt, Felix, Rossmeisl, Jan, Nørskov, Jens K.

Journal:

Energy & Environmental Science

Year:

2010

Language:

english

File:

PDF, 223 KB

english, 2010

17

Nature of Lone-Pair–Surface Bonds and Their Scaling Relations

Kakekhani, Arvin, Roling, Luke T., Kulkarni, Ambarish, Latimer, Allegra A., Abroshan, Hadi, Schumann, Julia, AlJama, Hassan, Siahrostami, Samira, Ismail-Beigi, Sohrab, Abild-Pedersen, Frank, Nørskov,

Journal:

Inorganic Chemistry

Year:

2018

Language:

english

File:

PDF, 9.92 MB

english, 2018

18

Using scaling relations to understand trends in the catalytic activity of transition metals

Jones, G, Bligaard, T, Abild-Pedersen, F, Nørskov, J K

Journal:

Journal of Physics Condensed Matter

Year:

2008

Language:

english

File:

PDF, 1.12 MB

english, 2008

19

Insights into carbon nanotube nucleation: Cap formation governed by catalyst interfacial step flow

Rao, Rahul, Sharma, Renu, Abild-Pedersen, Frank, Nørskov, Jens K., Harutyunyan, Avetik R.

Journal:

Scientific Reports

Year:

2014

Language:

english

File:

PDF, 1.71 MB

english, 2014

20

Theoretical and Experimental Studies of CoGa Catalysts for the Hydrogenation of CO2 to Methanol

Singh, Joseph A., Cao, Ang, Schumann, Julia, Wang, Tao, Nørskov, Jens K., Abild-Pedersen, Frank, Bent, Stacey F.

Journal:

Catalysis Letters

Year:

2018

Language:

english

File:

PDF, 1.95 MB

english, 2018

21

Revealing the synergy between oxide and alloy phases on the performance of bimetallic In-Pd catalysts for CO 2 hydrogenation to methanol

Snider, Jonathan Leon, Streibel, Verena, Hubert, McKenzie Austin, Choksi, Tej S., Valle, Eduardo, Upham, David Chester, Schumann, Julia, Duyar, Melis Seher, Gallo, Alessandro, Abild-Pedersen, Frank, J

Journal:

Year:

2019

Language:

english

File:

PDF, 4.97 MB

english, 2019

22

Cover Picture: Volcano Relation for the Deacon Process over Transition-Metal Oxides (ChemCatChem 1/2010)

Felix Studt, Frank Abild-Pedersen, Heine A. Hansen, Isabela C. Man, Jan Rossmeisl, Thomas Bligaard

Journal:

Year:

2010

File:

PDF, 925 KB

2010

23

Stability of Pt-Modified Cu(111) in the Presence of Oxygen and Its Implication on the Overall Electronic Structure

Öberg, Henrik, Anniyev, Toyli, Vojvodic, Aleksandra, Kaya, Sarp, Ogasawara, Hirohito, Friebel, Daniel, Miller, Daniel J., Nordlund, Dennis, Bergmann, Uwe, Ljungberg, Mathias P., Abild-Pedersen, Frank,

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.75 MB

english, 2013

24

Fundamental Concepts in Heterogeneous Catalysis (Norskov/Fundamental Concepts in Heterogeneous Catalysis) || Surface Electrocatalysis

Nørskov, Jens K., Studt, Felix, Abild-Pedersen, Frank, Bligaard, Thomas

Year:

2014

Language:

english

File:

PDF, 1.28 MB

english, 2014

25

CO adsorption energies on metals with correction for high coordination adsorption sites – A density functional study

F. Abild-Pedersen, M.P. Andersson

Journal:

Surface Science

Year:

2007

Language:

english

File:

PDF, 230 KB

english, 2007

26

Volcano Relations for Oxidation of Hydrogen Halides over Rutile Oxide Surfaces

Dr. Anja Toftelund, Dr. Isabela C. Man, Dr. Heine A. Hansen, Dr. Frank Abild-Pedersen, Dr. Thomas Bligaard, Prof. Jan Rossmeisl, Dr. Felix Studt

Journal:

Year:

2012

Language:

english

File:

PDF, 848 KB

english, 2012

27

Fundamental Concepts in Heterogeneous Catalysis (Norskov/Fundamental Concepts in Heterogeneous Catalysis) || Surface Equilibria

Nørskov, Jens K., Studt, Felix, Abild-Pedersen, Frank, Bligaard, Thomas

Year:

2014

Language:

english

File:

PDF, 719 KB

english, 2014

28

Scaling relationships for adsorption energies of C2 hydrocarbons on transition metal surfaces

Glenn Jones, Felix Studt, Frank Abild-Pedersen, Jens K. Nørskov, Thomas Bligaard

Journal:

Chemical Engineering Science

Year:

2011

Language:

english

File:

PDF, 912 KB

english, 2011

29

Structure sensitivity of the methanation reaction: H2-induced CO dissociation on nickel surfaces

M.P. Andersson, F. Abild-Pedersen, I.N. Remediakis, T. Bligaard, G. Jones, J. Engbæk, O. Lytken, S. Horch, J.H. Nielsen, J. Sehested, J.R. Rostrup-Nielsen, J.K. Nørskov, I. Chorkendorff

Journal:

Journal of Catalysis

Year:

2008

Language:

english

File:

PDF, 1.35 MB

english, 2008

30

Corrigendum to “Elementary steps of syngas reactions on Mo2C(0 0 1): Adsorption thermochemistry and bond dissociation” [J. Catal. 290 (2012) 108–117]

Andrew J. Medford, Aleksandra Vojvodic, Felix Studt, Frank Abild-Pedersen, Jens K. Nørskov

Journal:

Journal of Catalysis

Year:

2012

Language:

english

File:

PDF, 108 KB

english, 2012

31

Analysis of sulfur-induced selectivity changes for anhydrous methanol dehydrogenation on Ni(100) surfaces

Lausche, Adam C., Abild-Pedersen, Frank, Madix, Robert J., Nørskov, Jens K., Studt, Felix

Journal:

Surface Science

Year:

2013

Language:

english

File:

PDF, 913 KB

english, 2013

32

Computational catalyst screening: Scaling, bond-order and catalysis

Abild-Pedersen, Frank

Journal:

Catalysis Today

Year:

2015

Language:

english

File:

PDF, 1.18 MB

english, 2015

33

Density functional theory in surface chemistry and catalysis

Jens K. Nørskov, Frank Abild-Pedersen, Felix Stud, Thomas Bligaard and Charles T. Campbell

Journal:

Proceedings of the National Academy of Sciences

Year:

2011

Language:

english

File:

PDF, 1.85 MB

english, 2011

34

Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution

Tsai, Charlie, Li, Hong, Park, Sangwook, Park, Joonsuk, Han, Hyun Soo, Nørskov, Jens K., Zheng, Xiaolin, Abild-Pedersen, Frank

Journal:

Nature Communications

Year:

2017

Language:

english

File:

PDF, 1.03 MB

english, 2017

35

Theoretical Investigation of Methane Oxidation on Pd(111) and Other Metallic Surfaces

Yoo, Jong Suk, Schumann, Julia, Studt, Felix, Abild-Pedersen, Frank, Nørskov, Jens K.

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 3.68 MB

english, 2018

36

Enhanced CO tolerance of Pt clusters supported on graphene with lattice vacancies

Hamamoto, Yuji, Wella, Sasfan Arman, Inagaki, Kouji, Abild-Pedersen, Frank, Bligaard, Thomas, Hamada, Ikutaro, Morikawa, Yoshitada

Journal:

Physical Review B

Year:

2020

File:

PDF, 1.17 MB

2020

37

Carbide induced reconstruction of monatomic steps on Ni(1 1 1) – A density functional study

M.P. Andersson, F. Abild-Pedersen

Journal:

Surface Science

Year:

2007

Language:

english

File:

PDF, 633 KB

english, 2007

38

Activity and Selectivity Trends in Synthesis Gas Conversion to Higher Alcohols

Medford, Andrew J., Lausche, Adam C., Abild-Pedersen, Frank, Temel, Burcin, SchjÃ¸dt, Niels C., NÃ¸rskov, Jens K., Studt, Felix

Journal:

Topics in Catalysis

Year:

2014

Language:

english

File:

PDF, 725 KB

english, 2014

39

On the behavior of Bro̸nsted-Evans-Polanyi relations for transition metal oxides

Vojvodic, A., Calle-Vallejo, F., Guo, W., Wang, S., Toftelund, A., Studt, F., Martínez, J. I., Shen, J., Man, I. C., Rossmeisl, J., Bligaard, T., No̸rskov, J. K., Abild-Pedersen, F.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 741 KB

english, 2011

40

Inherent Enhancement of Electronic Emission from Hexaboride Heterostructure

Voss, Johannes, Vojvodic, Aleksandra, Chou, Sharon H., Howe, Roger T., Abild-Pedersen, Frank

Journal:

Physical Review Applied

Year:

2014

Language:

english

File:

PDF, 563 KB

english, 2014

41

Transition-metal doped edge sites in vertically aligned MoS2catalysts for enhanced hydrogen evolution

Wang, Haotian, Tsai, Charlie, Kong, Desheng, Chan, Karen, Abild-Pedersen, Frank, Nørskov, Jens K., Cui, Yi

Journal:

Year:

2015

Language:

english

File:

PDF, 2.18 MB

english, 2015

42

Trends for Methane Oxidation at Solid Oxide Fuel Cell Conditions

Kleis, Jesper, Jones, Glenn, Abild-Pedersen, Frank, Tripkovic, Vladimir, Bligaard, Thomas, Rossmeisl, Jan

Journal:

Journal of The Electrochemical Society

Year:

2009

Language:

english

File:

PDF, 650 KB

english, 2009

43

Methanol Partial Oxidation on Ag(1 1 1) from First Principles

Aljama, Hassan, Yoo, Jong Suk, Nørskov, Jens K., Abild-Pedersen, Frank, Studt, Felix

Journal:

Year:

2016

Language:

english

File:

PDF, 623 KB

english, 2016

44

Predicting Adsorption Properties of Catalytic Descriptors on Bimetallic Nanoalloys with Site-Specific Precision

Choksi, Tej S., Roling, Luke T., Streibel, Verena, Abild-Pedersen, Frank

Journal:

The Journal of Physical Chemistry Letters

Year:

2019

File:

PDF, 3.45 MB

2019

45

Fundamental Concepts in Heterogeneous Catalysis (Norskov/Fundamental Concepts in Heterogeneous Catalysis) ||

Nørskov, Jens K., Studt, Felix, Abild-Pedersen, Frank, Bligaard, Thomas

Year:

2014

File:

PDF, 12.45 MB

2014

46

On the Role of Surface Modifications of Palladium Catalysts in the Selective Hydrogenation of Acetylene

Felix Studt, Frank Abild-Pedersen, Thomas Bligaard, Rasmus Z. Sørensen, Claus H. Christensen, Jens K. Nørskov

Journal:

Angewandte Chemie

Year:

2008

Language:

english

File:

PDF, 448 KB

english, 2008

47

Dynamical Observation and Detailed Description of Catalysts under Strong Metal–Support Interaction

Zhang, Shuyi, Plessow, Philipp N., Willis, Joshua J., Dai, Sheng, Xu, Mingjie, Graham, George W., Cargnello, Matteo, Abild-Pedersen, Frank, Pan, Xiaoqing

Journal:

Year:

2016

Language:

english

File:

PDF, 3.64 MB

english, 2016

48

Modeling the Migration of Platinum Nanoparticles on Surfaces Using a Kinetic Monte Carlo Approach

Li, Lin, Plessow, Philipp N., Rieger, Michael, Sauer, Simeon, Sánchez-Carrera, Roel S., Schaefer, Ansgar, Abild-Pedersen, Frank

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 2.17 MB

english, 2017

49

Fundamental Concepts in Heterogeneous Catalysis (Norskov/Fundamental Concepts in Heterogeneous Catalysis) ||

Nørskov, Jens K., Studt, Felix, Abild-Pedersen, Frank, Bligaard, Thomas

Year:

2014

Language:

english

File:

PDF, 12.45 MB

english, 2014

50

Understanding trends in C–H bond activation in heterogeneous catalysis

Latimer, Allegra A., Kulkarni, Ambarish R., Aljama, Hassan, Montoya, Joseph H., Yoo, Jong Suk, Tsai, Charlie, Abild-Pedersen, Frank, Studt, Felix, Nørskov, Jens K.

Journal:

Nature Materials

Year:

2016

Language:

english

File:

PDF, 1.09 MB

english, 2016

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