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발행년	- (예 : 2010-2015)

Extended Tersoff potential for boron nitride: Energetics and elastic properties of pristine and defective h -BN

Academic Journal

Los, J.H.; Kroes, J.M.H.; Katsnelson, M.I.; Fasolino, A.; Albe, K.; Gordillo, R.M.

In: Physical Review B. (Physical Review B, 20 November 2017, 96(18))

Full Text (ECC - 개별구독 전자저널) Web of Science JCR 저널정보 Scopus Find it@PNU

Density functional based simulations of proton permeation of graphene and hexagonal boron nitride

Academic Journal

Kroes, J.M.H.; Fasolino, A.; Katsnelson, M.I.

In: Physical Chemistry Chemical Physics. (Physical Chemistry Chemical Physics, 2017, 19(8):5813-5817)

Full Text (RSC Gold) Web of Science JCR 저널정보 Scopus Find it@PNU

The response of single-walled carbon nanotubes to NO2 and the search for a long-living adsorbed species

Academic Journal

Kroes, J.M.H.; Pietrucci, F.; Andreoni, W.; Chikkadi, K.; Roman, C.; Hierold, C.

In: Applied Physics Letters. (Applied Physics Letters, 18 January 2016, 108(3))

Full Text (AIP) Web of Science JCR 저널정보 Scopus Find it@PNU

Energetics, barriers and vibrational spectra of partially and fully hydrogenated hexagonal boron nitride

Academic Journal

Kroes, J.M.H.; Fasolino, A.; Katsnelson, M.I.

In: Physical Chemistry Chemical Physics. (Physical Chemistry Chemical Physics, 2016, 18(28):19359-19367)

Full Text (RSC Gold) Web of Science JCR 저널정보 Scopus Find it@PNU

Atom Vacancies on a Carbon Nanotube: To What Extent Can We Simulate their Effects?

Academic Journal

Kroes, J.M.H.; Pietrucci, F.; Andreoni, W.; Van Duin, A.C.T.

In: Journal of Chemical Theory and Computation. (Journal of Chemical Theory and Computation, 22 May 2015, 11(7):3393-3400)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

Characterizing and understanding divalent adsorbates on carbon nanotubes with ab initio and classical approaches: Size, chirality, and coverage effects

Academic Journal

Kroes, J.M.H.; Pietrucci, F.; Andreoni, W.; Curioni, A.

In: Journal of Chemical Theory and Computation. (Journal of Chemical Theory and Computation, 14 October 2014, 10(10):4672-4683)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

Atomic oxygen chemisorption on carbon nanotubes revisited with theory and experiment

Academic Journal

Kroes, J.M.H.; Andreoni, W.; Pietrucci, F.; Curioni, A.; Jaafar, R.; Gröning, O.

In: Journal of Physical Chemistry C. (Journal of Physical Chemistry C, 31 January 2013, 117(4):1948-1954)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

Exohedral hydrogen chemisorption on a carbon nanotube: The clustering effect

Academic Journal

Andreoni, W.; Kroes, J.M.H.; Pietrucci, F.; Curioni, A.; Gröning, O.

In: Journal of Physical Chemistry C. (Journal of Physical Chemistry C, 12 January 2012, 116(1):269-275)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

Mechanism and free-energy barrier of the type-57 reconstruction of the zigzag edge of graphene

Academic Journal

Kroes, J.M.H.; Akhukov, M.A.; Los, J.H.; Fasolino, A.; Pineau, N.

In: Physical Review B - Condensed Matter and Materials Physics. (Physical Review B - Condensed Matter and Materials Physics, 12 April 2011, 83(16))

Scopus Find it@PNU

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