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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

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

6

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

7

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

8

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

9

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

10

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

11

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

12

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

13

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

14

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

15

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

16

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

17

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

18

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

19

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

20

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

21

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

22

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

23

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

24

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

25

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

26

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

27

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

28

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

29

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

30

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

31

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

32

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

33

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

34

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

35

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

36

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

37

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

38

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

39

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

40

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

41

A cyclam-type “turn on” fluorescent sensor selective for mercury ions in aqueous media

Voutsadaki, Styliani, Tsikalas, George K., Klontzas, Emmanuel, Froudakis, George E., Pergantis, Spiros A., Demadis, Konstantinos D., Katerinopoulos, Haralambos E.

Journal:

Year:

2012

Language:

english

File:

PDF, 456 KB

english, 2012

42

Hydrogen Interaction with Single-Walled Carbon Nanotubes: A Combined Quantum-Mechanics/Molecular-Mechanics Study

Froudakis, George E.

Journal:

Year:

2001

Language:

english

File:

PDF, 146 KB

english, 2001

43

Why Alkali-Metal-Doped Carbon Nanotubes Possess High Hydrogen Uptake

Froudakis, George E.

Journal:

Year:

2001

Language:

english

File:

PDF, 238 KB

english, 2001

44

DFT Study of Hydrogen Storage by Spillover on Graphite with Oxygen Surface Groups

Psofogiannakis, George M., Froudakis, George E.

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 1.85 MB

english, 2009

45

Improving Hydrogen Storage Capacity of MOF by Functionalization of the Organic Linker with Lithium Atoms

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

Journal:

Year:

2008

Language:

english

File:

PDF, 1.05 MB

english, 2008

46

Effect of curvature and chirality for hydrogen storage in single-walled carbon nanotubes: A Combined ab initio and Monte Carlo investigation

Mpourmpakis, Giannis, Froudakis, George E., Lithoxoos, George P., Samios, Jannis

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.01 MB

english, 2007

47

SiC Nanotubes: A Novel Material for Hydrogen Storage

Mpourmpakis, Giannis, Froudakis, George E., Lithoxoos, George P., Samios, Jannis

Journal:

Year:

2006

Language:

english

File:

PDF, 366 KB

english, 2006

48

Multi-scale theoretical investigation of hydrogen storage in covalent organic frameworks

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

Journal:

Year:

2011

Language:

english

File:

PDF, 728 KB

english, 2011

49

The effect of structural and energetic parameters of MOFs and COFs towards the improvement of their hydrogen storage properties

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

Journal:

Year:

2009

Language:

english

File:

PDF, 1.36 MB

english, 2009

50

From Pure Carbon to Silicon−Carbon Nanotubes: An Ab-initio Study

Mavrandonakis, A., Froudakis, George E., Schnell, M., Mühlhäuser, Max

Journal:

Year:

2003

Language:

english

File:

PDF, 220 KB

english, 2003