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1

Why boron nitride nanotubes are preferable to carbon nanotubes for hydrogen storage?: An ab initio theoretical study

Giannis Mpourmpakis, George E. Froudakis

Journal:

Catalysis Today

Year:

2007

Language:

english

File:

PDF, 635 KB

english, 2007

2

Porous carbon nanotube networks and pillared graphene materials exhibiting high SF6 adsorption uptake and separation selectivity of SF6/N2 fluid mixtures: A comparative molecular simulation study

Skarmoutsos, Ioannis, Koukaras, Emmanuel N., Galiotis, Costas, Froudakis, George E., Klontzas, Emmanuel

Journal:

Microporous and Mesoporous Materials

Year:

2020

File:

PDF, 9.94 MB

2020

3

Hydrogen storage in nanotubes & nanostructures

George E. Froudakis

Journal:

Materials Today

Year:

2011

Language:

english

File:

PDF, 2.45 MB

english, 2011

4

A “turn-on” coumarin-based fluorescent sensor with high selectivity for mercury ions in aqueous media

Voutsadaki, Styliani, Tsikalas, George K., Klontzas, Emmanuel, Froudakis, George E., Katerinopoulos, Haralambos E.

Journal:

Chemical Communications

Year:

2010

Language:

english

File:

PDF, 945 KB

english, 2010

5

Effect of surface functionalities on gas adsorption in microporous carbons: a grand canonical Monte Carlo study

Gotzias, A., Tylianakis, E., Froudakis, G., Steriotis, Th.

Journal:

Year:

2013

Language:

english

File:

PDF, 995 KB

english, 2013

6

Haeckelites: A promising anode material for lithium batteries application. An ab initio and molecular dynamics theoretical study

Mpourmpakis, Giannis, Froudakis, George E., Tylianakis, Emmanuel

Journal:

Applied Physics Letters

Year:

2006

Language:

english

File:

PDF, 577 KB

english, 2006

7

Atomic Hydrogen Diffusion on Doped and Chemically Modified Graphene

Lueking, Angela D., Psofogiannakis, George, Froudakis, George E.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 2.94 MB

english, 2013

8

Designing novel nanoporous architectures of carbon nanotubes for hydrogen storage

Tylianakis, Emmanuel, Dimitrakakis, Georgios K., Martin-Martinez, Francisco J., Melchor, Santiago, Dobado, Jose A., Klontzas, Emmanuel, Froudakis, George E.

Journal:

International Journal of Hydrogen Energy

Year:

2014

Language:

english

File:

PDF, 1.19 MB

english, 2014

9

Model potential for silicon clusters and surfaces

Mistriotis, A. D., Froudakis, G. E., Vendras, P., Flytzanis, N.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 306 KB

english, 1993

10

Outlook and challenges for hydrogen storage in nanoporous materials

Broom, D. P., Webb, C. J., Hurst, K. E., Parilla, P. A., Gennett, T., Brown, C. M., Zacharia, R., Tylianakis, E., Klontzas, E., Froudakis, G. E., Steriotis, Th. A., Trikalitis, P. N., Anton, D. L., Ha

Journal:

Applied Physics

Year:

2016

Language:

english

File:

PDF, 4.74 MB

english, 2016

11

Highly selective separation and adsorption-induced phase transition of SF6-N2 fluid mixtures in three-dimensional carbon nanotube networks

Skarmoutsos, Ioannis, Tamiolakis, George, Froudakis, George E.

Journal:

The Journal of Supercritical Fluids

Year:

2016

Language:

english

File:

PDF, 2.56 MB

english, 2016

12

Chemically intuited, large-scale screening of MOFs by machine learning techniques

Borboudakis, Giorgos, Stergiannakos, Taxiarchis, Frysali, Maria, Klontzas, Emmanuel, Tsamardinos, Ioannis, Froudakis, George E.

Journal:

npj Computational Materials

Year:

2017

Language:

english

File:

PDF, 1.24 MB

english, 2017

13

Concepts for improving hydrogen storage in nanoporous materials

Broom, D.P., Webb, C.J., Fanourgakis, G.S., Froudakis, G.E., Trikalitis, P.N., Hirscher, M.

Journal:

International Journal of Hydrogen Energy

Year:

2019

Language:

english

File:

PDF, 1.57 MB

english, 2019

14

An Automated Machine Learning Architecture for the Accelerated Prediction of Metal-Organic Frameworks Performance in Energy and Environmental Applications

Tsamardinos, Ioannis, Fanourgakis, George S., Greasidou, Elissavet, Klontzas, Emmanuel, Gkagkas, Konstantinos, Froudakis, George E.

Journal:

Microporous and Mesoporous Materials

Year:

2020

Language:

english

File:

PDF, 2.79 MB

english, 2020

15

Fast Screening of Large Databases for Top Performing Nanomaterials Using a Self-Consistent, Machine Learning Based Approach

Fanourgakis, George S., Gkagkas, Konstantinos, Tylianakis, Emmanuel, Froudakis, George E.

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 1.09 MB

2020

16

ChemInform Abstract: Site Specificity in the Photooxidation of Some Trisubstituted Alkenes in Thionin-Supported Zeolite Na—Y. On the Role of the Alkali Metal Cation.

Manolis Stratakis, George Froudakis

Journal:

Year:

2000

File:

PDF, 27 KB

2000

17

ChemInform Abstract: cis- and trans-N-Benzyl-octahydrobenzo[g]quinolines. Adrenergic and Dopaminergic Activity Studies.

Kyriaki Thermos, George E. Froudakis, Nikos Tagmatarchis, Haralambos E. Katerinopoulos

Journal:

Year:

2001

File:

PDF, 28 KB

2001

18

ChemInform Abstract: Stereochemistry of the [4 + 2] Cycloadditions of trans,trans- and cis,trans-2,4-Hexadiene to C60.

Nikos Chronakis, George Froudakis, Michael Orfanopoulos

Journal:

Year:

2002

File:

PDF, 27 KB

2002

19

ChemInform Abstract: A “Turn-on” Coumarin-Based Fluorescent Sensor with High Selectivity for Mercury Ions in Aqueous Media

Styliani Voutsadaki, George K. Tsikalas, Emmanuel Klontzas, George E. Froudakis, Haralambos E. Katerinopoulos

Journal:

Year:

2010

File:

PDF, 16 KB

2010

20

Ab initio Study of the Interactions between CO2 and N-Containing Organic Heterocycles

Konstantinos D. Vogiatzis, Andreas Mavrandonakis, Wim Klopper, George E. Froudakis

Journal:

Year:

2009

Language:

english

File:

PDF, 455 KB

english, 2009

21

A DFT Study on the Interaction of Li+ and Na+ with Alkyl-Substituted Ethenes

George E. Froudakis, Manolis Stratakis

Journal:

European Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 157 KB

english, 2003

22

Importance of multicenter bonding in the structure of Si3C3

Max Mühlhäuser, Georgios Froudakis, Aristides Zdetsis, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 649 KB

english, 1993

23

Theoretical study of the Si3C2 cluster

George E. Froudakis, Max Mühlhäuser, Aristides D. Zdetsis

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 571 KB

english, 1995

24

The excited states of Sr+CO: photofragmentation spectra and ab initio calculations

S.C Farantos, E Filippou, S Stamatiadis, G.E Froudakis, M Mühlhäuser, M Peric, M Massaouti, A Sfounis, M Velegrakis

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 230 KB

english, 2003

25

An MRD-CI study of the electronic spectrum of Si3C3

Max Mühlhäuser, George E Froudakis, Aristides Zdetsis

Journal:

Journal of Molecular Spectroscopy

Year:

2004

Language:

english

File:

PDF, 188 KB

english, 2004

26

Theoretical and experimental studies of metallated phenanthroline derivatives as carriers for the optimization of the nitrate sensor

George E Andredakis, Elizabeth A Moschou, Katherine Matthaiou, George E Froudakis, Nikolas A Chaniotakis

Journal:

Analytica Chimica Acta

Year:

2001

Language:

english

File:

PDF, 192 KB

english, 2001

27

Curvature dependence of the metal catalyst atom interaction with carbon nanotubes walls

Madhu Menon, Antonis N. Andriotis, George E. Froudakis

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 528 KB

english, 2000

28

The electronic spectrum of linear and rhombic C4

Max Mühlhäuser, George E Froudakis, Michael Hanrath, Sigrid D Peyerimhoff

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 77 KB

english, 2000

29

Ab initio CCSD(T) and MRD-CI study of excited states and the electronic spectrum of linear C5+

Melanie Schnell, Max Mühlhäuser, George E. Froudakis, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 92 KB

english, 2001

30

Structural properties of metal-benzene, Mn(benzene)m, M=Ni, V complexes: an ab initio study

George E Froudakis, Antonis N Andriotis, Madhu Menon

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 262 KB

english, 2001

31

Importance of multi-reference configuration interaction for 3Σu−←X3Σg− transitions of linear HC7H

Giannis Mpourmpakis, Max Mühlhäuser, George E. Froudakis, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 120 KB

english, 2002

32

Photofragmentation spectra of Sr+CO complex: experiment and ab initio calculations

S.C Farantos, E Filippou, S Stamatiadis, G.E Froudakis, M Mühlhäuser, M Massaouti, A Sfounis, M Velegrakis

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 124 KB

english, 2002

33

A tight-binding molecular dynamics study of NimSin binary clusters

Antonis N. Andriotis, Madhu Menon, George E. Froudakis, Zacharias Fthenakis, J.E. Lowther

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 329 KB

english, 1998

34

Binding energies and structures of C+Arn (n=1–5), clusters from first principles

G.E. Froudakis, G.S. Fanourgakis, S.C. Farantos, S.S. Xantheas

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 106 KB

english, 1998

35

Mass spectra and theoretical modeling of Li+Nen, Li+Arn and Li+Krn clusters

George E Froudakis, Stavros C Farantos, Michalis Velegrakis

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 275 KB

english, 2000

36

cis- and trans-N-Benzyl-octahydrobenzo[g]quinolines. Adrenergic and Dopaminergic Activity Studies

Kyriaki Thermos, George E Froudakis, Nikos Tagmatarchis, Haralambos E Katerinopoulos

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2001

Language:

english

File:

PDF, 136 KB

english, 2001

37

Ab initio investigation of the stability of Si3C3clusters and their structural and bonding features

Max Mühlhäuser, Georgios Froudakis, Aristides Zdetsis, Bernd Engels, Nikos Flytzanis, Sigrid D. Peyerimhoff

Journal:

Zeitschrift für Physik D Atoms, Molecules and Clusters

Year:

1994

Language:

english

File:

PDF, 1.27 MB

english, 1994

38

MRD-CI study of the electronic spectrum of linear C9

Max Mühlhäuser, George E. Froudakis, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 93 KB

english, 2001

39

Tight-binding molecular dynamics study of transition metal carbide clusters

Antonis N. Andriotis, Madhu Menon, George E. Froudakis, J.E. Lowther

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 221 KB

english, 1999

40

Coordination of Ti cation embedded in argon clusters

Michalis Velegrakis, George E Froudakis, Stavros C Farantos

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 428 KB

english, 1999

41

Mass spectra and structures of Cu+Rgn clusters (Rg = Ne, Ar)

George E. Froudakis, Max Muhlhauser, Stavros C. Farantos, Antonis Sfounis, Michalis Velegrakis

Journal:

Chemical Physics

Year:

2002

Language:

english

File:

PDF, 188 KB

english, 2002

42

Tight-Binding Molecular Dynamics Study of Heteronuclear Systems: Application to SimGenClusters

Antonis N. Andriotis, Madhu Menon, George E. Froudakis

Journal:

Journal of Cluster Science

Year:

1999

Language:

english

File:

PDF, 459 KB

english, 1999

43

Fundamental studies and perceptions on the spillover mechanism for hydrogen storage

Psofogiannakis, George M., Froudakis, George E.

Journal:

Chemical Communications

Year:

2011

Language:

english

File:

PDF, 2.89 MB

english, 2011

44

On the Enhancement of Molecular Hydrogen Interactions in Nanoporous Solids for Improved Hydrogen Storage

Klontzas, Emmanouel, Tylianakis, Emmanuel, Froudakis, George E.

Journal:

The Journal of Physical Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 1.41 MB

english, 2011

45

Theoretical Explanation of Hydrogen Spillover in Metal−Organic Frameworks

Psofogiannakis, George M., Froudakis, George E.

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 2.25 MB

english, 2011

46

Hydrogen interaction with carbon nanotubes: a review of ab initio studies

Froudakis, George E

Journal:

Journal of Physics Condensed Matter

Year:

2002

Language:

english

File:

PDF, 424 KB

english, 2002

47

Theoretical study of hydrogen adsorption in oxygen functionalized carbon slit pores

A. Gotzias, E. Tylianakis, G. Froudakis, Th. Steriotis

Journal:

Microporous and Mesoporous Materials

Year:

2012

Language:

english

File:

PDF, 1.23 MB

english, 2012

48

Li-Doped Pillared Graphene Oxide: A Graphene-Based Nanostructured Material for Hydrogen Storage

Tylianakis, Emmanuel, Psofogiannakis, George M., Froudakis, George E.

Journal:

The Journal of Physical Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 4.08 MB

english, 2010

49

Energetics and structure of dangling and floating bonds in amorphous silicon

Aristides Zdetsis, George Froudakis

Journal:

Journal of Non-Crystalline Solids

Year:

1991

Language:

english

File:

PDF, 295 KB

english, 1991

50

Pillared Graphene: A New 3-D Network Nanostructure for Enhanced Hydrogen Storage

Dimitrakakis, Georgios K., Tylianakis, Emmanuel, Froudakis, George E.

Journal:

Year:

2008

Language:

english

File:

PDF, 2.05 MB

english, 2008

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