Akola, Jaakko: search on Z-Library

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1

DFT simulations and microkinetic modelling of 1-pentyne hydrogenation on Cu20 model catalysts

Ma, Li, Melander, Marko, Weckman, Timo, Lipasti, Saana, Laasonen, Kari, Akola, Jaakko

Journal:

Journal of Molecular Graphics and Modelling

Year:

2016

Language:

english

File:

PDF, 2.92 MB

english, 2016

2

Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters

Lopez-Acevedo, Olga, Kacprzak, Katarzyna A., Akola, Jaakko, Häkkinen, Hannu

Journal:

Nature Chemistry

Year:

2010

Language:

english

File:

PDF, 2.00 MB

english, 2010

3

Geometric Structure and Chemical Ordering of Large AuCu Clusters: A Computational Study

Goh, Jing-Qiang, Akola, Jaakko, Ferrando, Riccardo

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 40.85 MB

english, 2017

4

On the Structure of a Thiolated Gold Cluster: Au44(SR)282−†

Walter, Michael, Akola, Jaakko, Jiang, De-en

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 391 KB

english, 2010

5

Regeneration of sulfur-poisoned Pd-based catalyst for natural gas oxidation

Honkanen, Mari, Wang, Jianguang, Kärkkäinen, Marja, Huuhtanen, Mika, Jiang, Hua, Kallinen, Kauko, Keiski, Riitta L., Akola, Jaakko, Vippola, Minnamari

Journal:

Journal of Catalysis

Year:

2018

Language:

english

File:

PDF, 6.11 MB

english, 2018

6

A density functional investigation of thiolate-protected bimetal PdAu24(SR)18z clusters: doping the superatom complex

Kacprzak, Katarzyna A., Lehtovaara, Lauri, Akola, Jaakko, Lopez-Acevedo, Olga, Häkkinen, Hannu

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.27 MB

english, 2009

7

Silver Sulfide Nanoclusters and the Superatom Model

Goh, Jing-Qiang, Malola, Sami, Häkkinen, Hannu, Akola, Jaakko

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 4.92 MB

english, 2015

8

On the Structure of Thiolate-Protected Au 25

Akola, Jaakko, Walter, Michael, Whetten, Robert L., Häkkinen, Hannu, Grönbeck, Henrik

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 72 KB

english, 2008

9

Thiolate-Protected Au 25 Superatoms as Building Blocks: Dimers and Crystals †

Akola, Jaakko, Kacprzak, Katarzyna A., Lopez-Acevedo, Olga, Walter, Michael, Grönbeck, Henrik, Häkkinen, Hannu

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 3.54 MB

english, 2010

10

Superatom Model for Ag–S Nanocluster with Delocalized Electrons

Goh, Jing-Qiang, Akola, Jaakko

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 5.79 MB

english, 2015

11

The electrooxidation-induced structural changes of gold di-superatomic molecules: Au 23 vs. Au 25

Matsuo, Shota, Yamazoe, Seiji, Goh, Jing-Qiang, Akola, Jaakko, Tsukuda, Tatsuya

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.22 MB

english, 2016

12

clusters

Akola, Jaakko, Manninen, Matti

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 201 KB

english, 2001

13

Role of the Central Gold Atom in Ligand-Protected Biicosahedral Au 24 and Au 25 Clusters

Goh, Jing-Qiang, Malola, Sami, Häkkinen, Hannu, Akola, Jaakko

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 2.78 MB

english, 2013

14

Simple metal under tensile stress: layer-dependent herringbone reconstruction of thin potassium films on graphite

Yin, Feng, Kulju, Sampo, Koskinen, Pekka, Akola, Jaakko, Palmer, Richard E.

Journal:

Scientific Reports

Year:

2015

Language:

english

File:

PDF, 863 KB

english, 2015

15

Density-functional investigation of molecular graphene: CO on Cu(111)

Ropo, Matti, Paavilainen, Sami, Akola, Jaakko, Räsänen, Esa

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 1.76 MB

english, 2014

16

Density functional study of Cu2+-phenylalanine complex under micro-solvation environment

Ganesan, Aravindhan, Dreyer, Jens, Wang, Feng, Akola, Jaakko, Larrucea, Julen

Journal:

Journal of Molecular Graphics and Modelling

Year:

2013

Language:

english

File:

PDF, 3.11 MB

english, 2013

17

Atomistic simulations of anionic Au144(SR)60 nanoparticles interacting with asymmetric model lipid membranes

Heikkilä, Elena, Martinez-Seara, Hector, Gurtovenko, Andrey A., Vattulainen, Ilpo, Akola, Jaakko

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2014

Language:

english

File:

PDF, 2.16 MB

english, 2014

18

CLEASE: a versatile and user-friendly implementation of cluster expansion method

Chang, Jin Hyun, Kleiven, David, Melander, Marko, Akola, Jaakko, Garcia-Lastra, Juan Maria, Vegge, Tejs

Journal:

Journal of Physics Condensed Matter

Year:

2019

File:

PDF, 1.81 MB

2019

19

Density functional study of gold atoms and clusters on a graphite (0001) surface with defects

Akola, Jaakko, Häkkinen, Hannu

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 1.12 MB

english, 2006

20

Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene

Paavilainen, Sami, Ropo, Matti, Nieminen, Jouko, Akola, Jaakko, Räsänen, Esa

Journal:

Year:

2016

Language:

english

File:

PDF, 3.36 MB

english, 2016

21

Structure and Bonding in the Ubiquitous Icosahedral Metallic Gold Cluster Au 144 (SR) 60

Lopez-Acevedo, Olga, Akola, Jaakko, Whetten, Robert L., Grönbeck, Henrik, Häkkinen, Hannu

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 510 KB

english, 2009

22

The Role of Temperature and Lipid Charge on Intake/Uptake of Cationic Gold Nanoparticles into Lipid Bilayers

Lolicato, Fabio, Joly, Loic, Martinez‐Seara, Hector, Fragneto, Giovanna, Scoppola, Ernesto, Baldelli Bombelli, Francesca, Vattulainen, Ilpo, Akola, Jaakko, Maccarini, Marco

Journal:

Year:

2019

File:

PDF, 4.43 MB

2019

23

Strain-engineered widely tunable perfect absorption angle in black phosphorus from first principles

Alidoust, Mohammad, Halterman, Klaus, Pan, Douxing, Willatzen, Morten, Akola, Jaakko

Journal:

Physical Review B

Year:

2020

File:

PDF, 1.97 MB

2020

24

Atomistic Simulations of Functional Au 144 (SR) 60 Gold Nanoparticles in Aqueous Environment

Heikkilä, Elena, Gurtovenko, Andrey A., Martinez-Seara, Hector, Häkkinen, Hannu, Vattulainen, Ilpo, Akola, Jaakko

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 3.82 MB

english, 2012

25

Atomistic Simulations of Early Stage Clusters In Al-Mg Alloys

Kleiven, David, Ødegård, Olve L., Laasonen, Kari, Akola, Jaakko

Journal:

Acta Materialia

Year:

2018

Language:

english

File:

PDF, 8.55 MB

english, 2018

26

The structure of MgO–SiO 2 glasses at elevated pressure

Wilding, Martin, Guthrie, Malcolm, Kohara, Shinji, Bull, Craig L, Akola, Jaakko, Tucker, Matt G

Journal:

Journal of Physics Condensed Matter

Year:

2012

Language:

english

File:

PDF, 1.13 MB

english, 2012

27

Varying oxygen coverage on Cu55 and its effect on CO oxidation

Ma, Li, Akola, Jaakko

Journal:

Physical Chemistry Chemical Physics

Year:

2019

File:

PDF, 1.86 MB

2019

28

From local structure to nanosecond recrystallization dynamics in AgInSbTe phase-change materials

Matsunaga, Toshiyuki, Akola, Jaakko, Kohara, Shinji, Honma, Tetsuo, Kobayashi, Keisuke, Ikenaga, Eiji, Jones, Robert O., Yamada, Noboru, Takata, Masaki, Kojima, Rie

Journal:

Nature Materials

Year:

2011

Language:

english

File:

PDF, 1.12 MB

english, 2011

29

Collective excitations and viscosity in liquid Bi

Ropo, Matti, Akola, Jaakko, Jones, R. O.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 841 KB

english, 2016

30

The Key Role of Temperature and Lipid Composition in Modulating the Intake of Gold Nanoparticles into the Plasma Membrane

Lolicato, Fabio, Joly, Loic, Martinez-Seara Monne, Hector, Fragneto, Giovanna, Akola, Jaakko, Maccarini, Marco, Vattulainen, Ilpo

Journal:

Biophysical Journal

Year:

2019

Language:

english

File:

PDF, 46 KB

english, 2019

31

Improving the Adsorption of Au Atoms and Nanoparticles on Graphite via Li Intercalation

Logsdail, Andrew J., Johnston, Roy. L., Akola, Jaakko

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 3.71 MB

english, 2013

32

Conductivity control via minimally invasive anti-Frenkel defects in a functional oxide

Evans, Donald M., Holstad, Theodor S., Mosberg, Aleksander B., SmÃ¥brÃ¥ten, Didrik R., Vullum, Per Erik, Dadlani, Anup L., Shapovalov, Konstantin, Yan, Zewu, Bourret, Edith, Gao, David, Akola, Jaakko,

Journal:

Nature Materials

Year:

2020

File:

PDF, 2.26 MB

2020

33

Steered molecular dynamics simulations of ligand–receptor interaction in lipocalins

Janne Kalikka, Jaakko Akola

Journal:

European Biophysics Journal

Year:

2011

Language:

english

File:

PDF, 1.14 MB

english, 2011

34

Atomistic Simulations of Functional Gold Nanoparticles Au144(Sr)60 Interacting with Membranes

Heikkilä, Elena, Gurtovenko, Andrey, Martinez-Seara, Hector, Häkkinen, Hannu, Vattulainen, Ilpo, Akola, Jaakko

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 132 KB

english, 2013

35

How do Water Solvent and Glutathione Ligands Affect the Structure and Electronic Properties of Au 25 (SR) 18– ?

Rojas-Cervellera, Víctor, Rovira, Carme, Akola, Jaakko

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 3.57 MB

english, 2015

36

Precipitate Formation in Aluminum Alloys: Multi-scale Modeling Approach

Kleiven, David, Akola, Jaakko

Journal:

Acta Materialia

Year:

2020

File:

PDF, 3.39 MB

2020

37

Publisher Correction: Conductivity control via minimally invasive anti-Frenkel defects in a functional oxide

Evans, Donald M., Holstad, Theodor S., Mosberg, Aleksander B., SmÃ¥brÃ¥ten, Didrik R., Vullum, Per Erik, Dadlani, Anup L., Shapovalov, Konstantin, Yan, Zewu, Bourret, Edith, Gao, David, Akola, Jaakko,

Journal:

Nature Materials

Year:

2020

File:

PDF, 738 KB

2020

38

Molecular-scale ligand effects in small gold-thiolate nanoclusters

Chevrier, Daniel M, Raich, Lluís, Rovira, Carme, Das, Anindita, Luo, Zhentao, Yao, Qiaofeng, Chatt, Amares, Xie, Jianping, Jin, Rongchao, Akola, Jaakko, Zhang, Peng

Journal:

Journal of the American Chemical Society

Year:

2018

Language:

english

File:

PDF, 863 KB

english, 2018

39

Photoelectron spectra of aluminum cluster anions: Temperature effects and ab initio simulations

Akola, Jaakko, Manninen, Matti, Häkkinen, Hannu, Landman, Uzi, Li, Xi, Wang, Lai-Sheng

Journal:

Physical Review B

Year:

1999

Language:

english

File:

PDF, 63 KB

english, 1999

40

CO oxidation catalyzed by neutral and anionic Cu 20 clusters: relationship between charge and activity

Ma, Li, Melander, Marko, Laasonen, Kari, Akola, Jaakko

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.06 MB

english, 2015

41

The molecular mechanism of the ligand exchange reaction of an antibody against a glutathione-coated gold cluster

Rojas-Cervellera, Víctor, Raich, Lluís, Akola, Jaakko, Rovira, Carme

Journal:

Year:

2017

Language:

english

File:

PDF, 1.67 MB

english, 2017

42

Cationic Au Nanoparticle Binding with Plasma Membrane-like Lipid Bilayers: Potential Mechanism for Spontaneous Permeation to Cells Revealed by Atomistic Simulations

Heikkilä, Elena, Martinez-Seara, Hector, Gurtovenko, Andrey A., Javanainen, Matti, Häkkinen, Hannu, Vattulainen, Ilpo, Akola, Jaakko

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 754 KB

english, 2014

43

CO Oxidation on the Au 15 Cu 15 Cluster and the Role of Vacancies in the MgO(100) Support

Ma, Li, Melander, Marko, Weckman, Timo, Laasonen, Kari, Akola, Jaakko

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 1.77 MB

english, 2016

44

First-principles simulations of hydrogen peroxide formation catalyzed by small neutral gold clusters

Kacprzak, Katarzyna A., Akola, Jaakko, Häkkinen, Hannu

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.24 MB

english, 2009

45

Aluminum-lithium clusters: First-principles simulation of geometries and electronic properties

Akola, Jaakko, Manninen, Matti

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 567 KB

english, 2002

46

Catalytic Activity of AuCu Clusters on MgO(100): Effect of Alloy Composition for CO Oxidation

Ma, Li, Laasonen, Kari, Akola, Jaakko

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.88 MB

english, 2017

47

Real-space Wigner-Seitz Cells Imaging of Potassium on Graphite via Elastic Atomic Manipulation

Yin, Feng, Koskinen, Pekka, Kulju, Sampo, Akola, Jaakko, Palmer, Richard E.

Journal:

Scientific Reports

Year:

2015

Language:

english

File:

PDF, 574 KB

english, 2015

48

Electronic Properties of Single-Walled Carbon Nanotubes inside Cyclic Supermolecules

Akola, Jaakko, Rytkönen, Kari, Manninen, Matti

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 716 KB

english, 2006

49

Proton Distribution and Dynamics in Y- and Zn-Doped BaZrO 3

Kitamura, Naoto, Akola, Jaakko, Kohara, Shinji, Fujimoto, Kenjiro, Idemoto, Yasushi

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 440 KB

english, 2014

50

Aluminum cluster anions: Photoelectron spectroscopy and ab initio simulations

Akola, Jaakko, Manninen, Matti, Häkkinen, Hannu, Landman, Uzi, Li, Xi, Wang, Lai-Sheng

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 775 KB

english, 2000

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