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Gap opening at the Dirac point of graphene on Cu(111): Hybridization versus sublattice symmetry breaking

Surface science, 2023-02, Vol.728, p.122196, Article 122196

2023

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Collapsed armchair single-walled carbon nanotubes as an analog of closed-edged bilayer graphene nanoribbons

Physical review. B, Condensed matter and materials physics, 2015-12, Vol.92 (24), Article 245429

2015

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Radial deformation and stability of single-wall carbon nanotubes under hydrostatic pressure

Physical review. B, Condensed matter and materials physics, 2006-09, Vol.74 (11), Article 115401

2006

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Electronic-structure modification of graphene on Ni(111) surface by the intercalation of a noble metal

Physical review. B, Condensed matter and materials physics, 2013-02, Vol.87 (8), Article 085439

2013

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Oxygen reduction reaction of FeN4 center embedded in graphene and carbon nanotube: Density functional calculations

AIP advances, 2018-11, Vol.8 (11), p.115113-115113-9

2018

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Transfer doping of a metallic carbon nanotube and graphene on metal surfaces

Physical review. B, Condensed matter and materials physics, 2011-04, Vol.83 (15), Article 155435

2011

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Structural, physical and photocatalytic properties of mixed-valence double-perovskite Ba2Pr(Bi,Sb)O6 semiconductor synthesized by citrate pyrolysis technique

Solid state sciences, 2020-09, Vol.107, p.106352, Article 106352

2020

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Energetics of lithium ion adsorption on defective carbon nanotubes

Physical review. B, Condensed matter and materials physics, 2005-06, Vol.71 (24), p.245418.1-245418.6, Article 245418

2005

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Universal band gap modulation by radial deformation in semiconductor single-walled carbon nanotubes

Physical review. B, Condensed matter and materials physics, 2008-11, Vol.78 (19), Article 195403

2008

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Energetics of interlayer binding in graphite: The semiempirical approach revisited

Physical review. B, Condensed matter and materials physics, 2007-09, Vol.76 (11), Article 115424

2007

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Deformation and transfer doping of a single-walled carbon nanotube adsorbed on metallic substrates

Physical review. B, Condensed matter and materials physics, 2010-03, Vol.81 (12), Article 125414

2010

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Density-functional electronic structure calculations for native defects and Cu impurities in CdS

Physical review. B, Condensed matter and materials physics, 2006-07, Vol.74 (3), Article 035210

2006

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Electronic properties and crystal structures of double-perovskites, Ba2BiIIIBiVO6,Ba2PrBiO6, and Ba2PrSbO6: First-principles study

Materials research express, 2020-06, Vol.7 (6), p.065505

2020

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Unravelling the micro-mechanism of oxygen reduction reaction on Fe–N4 embedded in graphene

International journal of hydrogen energy, 2024-01, Vol.51, p.1471-1475

2024

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Hybridization versus sublattice symmetry breaking in the band gap opening in graphene on Ni(111): A first-principles study

Surface science, 2020-10, Vol.700, p.121651, Article 121651

2020

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Corrigendum to “Hybridization versus sublattice symmetry breaking in the band gap opening in graphene on Ni(111): A first-principles study” [Surface Science 700 (2020) 121651]

Surface science, 2020-12, Vol.702, p.121719, Article 121719

2020

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Energetics of Mg, B, Cu, and Ti Atoms Adsorbed on the ZnO Polar Surfaces from First Principles

e-Journal of Surface Science and Nanotechnology, 2011/05/10, Vol.9, pp.199-205

2011

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Structural, optical, and photocatalytic properties of rare-earth free double-perovskite oxides Ba2Bi 3 + (Bi 1 − 2 x 5 + Sb 2 x 5 + )O6

Solid state communications, 2023-11, Vol.373-374, p.115336, Article 115336

2023

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Structural, optical, and photocatalytic properties of rare-earth free double-perovskite oxides Ba2Bi3+(Bi1−2x5+Sb2x5+)O6

Solid state communications, 2023-11, Vol.373-374, Article 115336

2023

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Semiempirical approach to the energetics of interlayer binding in graphite

Physical review. B, Condensed matter and materials physics, 2004-11, Vol.70 (20), Article 205431

2004

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Electronic Structure of a Collapsed Armchair Single-Walled Carbon Nanotube

e-Journal of Surface Science and Nanotechnology, 2009/04/18, Vol.7, pp.541-545

2009

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Enhanced photocatalytic activities under visible light of double-perovskite oxide semiconductor Ba2Tb(Bi, Sb)O6 with mixed-valence

Journal of materials science. Materials in electronics, 2023-02, Vol.34 (4), p.281, Article 281

2023

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Hydrogen-induced disruption of the ZnO(0001) polar surface

Physical review. B, Condensed matter and materials physics, 2012-07, Vol.86 (3), Article 035412

2012

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Tuning the work function of graphene with the adsorbed organic molecules: first-principles calculations

Molecular physics, 2016-10, Vol.114 (20), p.2993-2998

2016

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Energetics of Mg and B adsorption on polar zinc oxide surfaces from first principles

Physical review. B, Condensed matter and materials physics, 2008-01, Vol.77 (3), Article 035330

2008

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Gap opening at the Dirac point of graphene on Cu(111): Hybridization versus sublattice symmetry breaking

Collapsed armchair single-walled carbon nanotubes as an analog of closed-edged bilayer graphene nanoribbons

Radial deformation and stability of single-wall carbon nanotubes under hydrostatic pressure

Electronic-structure modification of graphene on Ni(111) surface by the intercalation of a noble metal

Oxygen reduction reaction of FeN4 center embedded in graphene and carbon nanotube: Density functional calculations

Transfer doping of a metallic carbon nanotube and graphene on metal surfaces

Structural, physical and photocatalytic properties of mixed-valence double-perovskite Ba2Pr(Bi,Sb)O6 semiconductor synthesized by citrate pyrolysis technique

Energetics of lithium ion adsorption on defective carbon nanotubes

Universal band gap modulation by radial deformation in semiconductor single-walled carbon nanotubes

Energetics of interlayer binding in graphite: The semiempirical approach revisited

Deformation and transfer doping of a single-walled carbon nanotube adsorbed on metallic substrates

Density-functional electronic structure calculations for native defects and Cu impurities in CdS

Electronic properties and crystal structures of double-perovskites, Ba2BiIIIBiVO6,Ba2PrBiO6, and Ba2PrSbO6: First-principles study

Unravelling the micro-mechanism of oxygen reduction reaction on Fe–N4 embedded in graphene

Hybridization versus sublattice symmetry breaking in the band gap opening in graphene on Ni(111): A first-principles study

Corrigendum to “Hybridization versus sublattice symmetry breaking in the band gap opening in graphene on Ni(111): A first-principles study” [Surface Science 700 (2020) 121651]

Energetics of Mg, B, Cu, and Ti Atoms Adsorbed on the ZnO Polar Surfaces from First Principles

Structural, optical, and photocatalytic properties of rare-earth free double-perovskite oxides Ba2Bi 3 + (Bi 1 − 2 x 5 + Sb 2 x 5 + )O6

Structural, optical, and photocatalytic properties of rare-earth free double-perovskite oxides Ba2Bi3+(Bi1−2x5+Sb2x5+)O6

Semiempirical approach to the energetics of interlayer binding in graphite

Electronic Structure of a Collapsed Armchair Single-Walled Carbon Nanotube

Enhanced photocatalytic activities under visible light of double-perovskite oxide semiconductor Ba2Tb(Bi, Sb)O6 with mixed-valence

Hydrogen-induced disruption of the ZnO(0001) polar surface

Tuning the work function of graphene with the adsorbed organic molecules: first-principles calculations

Energetics of Mg and B adsorption on polar zinc oxide surfaces from first principles

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