Defects in bilayer silica and graphene: common trends in diverse hexagonal two-dimensional systems

¹

,

²

,

³

et al. 2020

Abstract

Smart CitationsHow this paper cites the one you are viewing

“…Thus, for the second layer, two more transition states must be overcome with activation energies of 5.36 and 0.69 eV for the first and second steps, respectively, and the formation of the intermediate structure I3. It is important to mention that the values extracted from our calculations for the energy of formation of a Stone–Wales‐type of defect (2.98 eV) is in good agreement with that reported by Björkman et al . (2.8 eV) for the same type of structural element formed through a different mechanism.…”

Section: Results

supporting

confidence: 90%

“…Thus,f or the second layer, two more transition states must be overcome with activation energies of 5.36 and 0.69 eV for the first and second steps,r espectively,a nd the formation of the intermediate structure I3. It is important to mention that the values extracted from our calculations for the energy of formation of aS tone-Wales-type of defect (2.98 eV) is in good agreement with that reported by Bjçrkman et al [20] (2.8 eV) for the same type of structural element formed through ad ifferent mechanism. Furthermore,o ur mechanism is consistent with the description of 5-7-5-7 to 6-6-6-6 transformation triggered by electron bombardment, in which several metastable intermediate states were observed in the inverse process.…”

Section: Angewandte Chemie

supporting

confidence: 90%

See 1 more Smart Citation

A Silica Bilayer Supported on Ru(0001): Following the Crystalline‐to Vitreous Transformation in Real Time with Spectro‐microscopy

¹

,

²

,

³

et al. 2020

Abstract

Smart CitationsHow this paper cites the one you are viewing

“…Thus, for the second layer, two more transition states must be overcome with activation energies of 5.36 and 0.69 eV for the first and second steps, respectively, and the formation of the intermediate structure I3. It is important to mention that the values extracted from our calculations for the energy of formation of a Stone–Wales‐type of defect (2.98 eV) is in good agreement with that reported by Björkman et al . (2.8 eV) for the same type of structural element formed through a different mechanism.…”

Section: Results

supporting

confidence: 90%

“…Thus,f or the second layer, two more transition states must be overcome with activation energies of 5.36 and 0.69 eV for the first and second steps,r espectively,a nd the formation of the intermediate structure I3. It is important to mention that the values extracted from our calculations for the energy of formation of aS tone-Wales-type of defect (2.98 eV) is in good agreement with that reported by Bjçrkman et al [20] (2.8 eV) for the same type of structural element formed through ad ifferent mechanism. Furthermore,o ur mechanism is consistent with the description of 5-7-5-7 to 6-6-6-6 transformation triggered by electron bombardment, in which several metastable intermediate states were observed in the inverse process.…”

Section: Angewandte Chemie

supporting

confidence: 90%

Ionization‐Facilitated Formation of 2D (Alumino)Silicate–Noble Gas Clathrate Compounds

Zhong

¹

,

Wang

²

,

Akter

³

et al. 2019

Adv Funct Materials

Abstract

Smart CitationsHow this paper cites the one you are viewing

“…The non‐six‐membered rings induce distortions in the hexagonal prism cages, which would explain changes in the activation energy for the release. Defect structures were also predicted by calculations from other groups . It should be noted that in silica films (Figure A–C), the lowest fitted E des ( E 1 ) contribute to 16% (Ar), 15% (Kr), and 19% (Xe) of the trapped atoms, which are comparable to the proportion of the noble gas atoms trapped at the interface of silica/Ru(0001) (Figure S2, Supporting Information).…”

Section: Results

supporting

confidence: 63%

J. Phys.: Condens. Matter

Assessing the amorphousness and periodicity of common domain boundaries in silica bilayers on Ru(0 0 0 1)

Burson

¹

,

Büchner

²

,

Heyde

³

et al. 2016

Abstract

Smart CitationsHow this paper cites the one you are viewing

“…The crystalline domains on either side of these boundaries have lattices that are rotated by 30° with respect to each other. Similar boundaries have been observed in graphene and in silica bilayer films grown on graphene [15,23,48]. Calculations of the strain fields and formation energy by density functional theory from those studies indicate the energetic favorability of defects involving rotations (such as the 57 defects shown here).…”

Section: Boundaries

supporting

confidence: 76%

A Silica Bilayer Supported on Ru(0001): Following the Crystalline‐to Vitreous Transformation in Real Time with Spectro‐microscopy

¹

,

²

,

³

et al. 2020

Abstract

Smart CitationsHow this paper cites the one you are viewing

“…Thus, for the second layer, two more transition states must be overcome with activation energies of 5.36 and 0.69 eV for the first and second steps, respectively, and the formation of the intermediate structure I3. It is important to mention that the values extracted from our calculations for the energy of formation of a Stone–Wales‐type of defect (2.98 eV) is in good agreement with that reported by Björkman et al . (2.8 eV) for the same type of structural element formed through a different mechanism.…”

Section: Results

supporting

confidence: 90%

“…Thus,f or the second layer, two more transition states must be overcome with activation energies of 5.36 and 0.69 eV for the first and second steps,r espectively,a nd the formation of the intermediate structure I3. It is important to mention that the values extracted from our calculations for the energy of formation of aS tone-Wales-type of defect (2.98 eV) is in good agreement with that reported by Bjçrkman et al [20] (2.8 eV) for the same type of structural element formed through ad ifferent mechanism. Furthermore,o ur mechanism is consistent with the description of 5-7-5-7 to 6-6-6-6 transformation triggered by electron bombardment, in which several metastable intermediate states were observed in the inverse process.…”

Section: Angewandte Chemie

supporting

confidence: 90%

Ionization‐Facilitated Formation of 2D (Alumino)Silicate–Noble Gas Clathrate Compounds

Zhong

¹

,

Wang

²

,

Akter

³

et al. 2019

Adv Funct Materials

Abstract

Smart CitationsHow this paper cites the one you are viewing

“…The non‐six‐membered rings induce distortions in the hexagonal prism cages, which would explain changes in the activation energy for the release. Defect structures were also predicted by calculations from other groups . It should be noted that in silica films (Figure A–C), the lowest fitted E des ( E 1 ) contribute to 16% (Ar), 15% (Kr), and 19% (Xe) of the trapped atoms, which are comparable to the proportion of the noble gas atoms trapped at the interface of silica/Ru(0001) (Figure S2, Supporting Information).…”

Section: Results

supporting

confidence: 63%

J. Phys.: Condens. Matter

Assessing the amorphousness and periodicity of common domain boundaries in silica bilayers on Ru(0 0 0 1)

Burson

¹

,

Büchner

²

,

Heyde

³

et al. 2016

Abstract

Smart CitationsHow this paper cites the one you are viewing

“…The crystalline domains on either side of these boundaries have lattices that are rotated by 30° with respect to each other. Similar boundaries have been observed in graphene and in silica bilayer films grown on graphene [15,23,48]. Calculations of the strain fields and formation energy by density functional theory from those studies indicate the energetic favorability of defects involving rotations (such as the 57 defects shown here).…”

Section: Boundaries

supporting

confidence: 76%

A Silica Bilayer Supported on Ru(0001): Following the Crystalline‐to Vitreous Transformation in Real Time with Spectro‐microscopy

¹

,

²

,

³

et al. 2020

Abstract

Smart CitationsHow this paper cites the one you are viewing

“…Thus, for the second layer, two more transition states must be overcome with activation energies of 5.36 and 0.69 eV for the first and second steps, respectively, and the formation of the intermediate structure I3. It is important to mention that the values extracted from our calculations for the energy of formation of a Stone–Wales‐type of defect (2.98 eV) is in good agreement with that reported by Björkman et al . (2.8 eV) for the same type of structural element formed through a different mechanism.…”

Section: Results

supporting

confidence: 90%

“…Thus,f or the second layer, two more transition states must be overcome with activation energies of 5.36 and 0.69 eV for the first and second steps,r espectively,a nd the formation of the intermediate structure I3. It is important to mention that the values extracted from our calculations for the energy of formation of aS tone-Wales-type of defect (2.98 eV) is in good agreement with that reported by Bjçrkman et al [20] (2.8 eV) for the same type of structural element formed through ad ifferent mechanism. Furthermore,o ur mechanism is consistent with the description of 5-7-5-7 to 6-6-6-6 transformation triggered by electron bombardment, in which several metastable intermediate states were observed in the inverse process.…”

Section: Angewandte Chemie

supporting

confidence: 90%

Ionization‐Facilitated Formation of 2D (Alumino)Silicate–Noble Gas Clathrate Compounds

Zhong

¹

,

Wang

²

,

Akter

³

et al. 2019

Adv Funct Materials

Abstract

Smart CitationsHow this paper cites the one you are viewing

“…The non‐six‐membered rings induce distortions in the hexagonal prism cages, which would explain changes in the activation energy for the release. Defect structures were also predicted by calculations from other groups . It should be noted that in silica films (Figure A–C), the lowest fitted E des ( E 1 ) contribute to 16% (Ar), 15% (Kr), and 19% (Xe) of the trapped atoms, which are comparable to the proportion of the noble gas atoms trapped at the interface of silica/Ru(0001) (Figure S2, Supporting Information).…”

Section: Results

supporting

confidence: 63%

J. Phys.: Condens. Matter

Assessing the amorphousness and periodicity of common domain boundaries in silica bilayers on Ru(0 0 0 1)

Burson

¹

,

Büchner

²

,

Heyde

³

et al. 2016

Abstract

Smart CitationsHow this paper cites the one you are viewing

“…The crystalline domains on either side of these boundaries have lattices that are rotated by 30° with respect to each other. Similar boundaries have been observed in graphene and in silica bilayer films grown on graphene [15,23,48]. Calculations of the strain fields and formation energy by density functional theory from those studies indicate the energetic favorability of defects involving rotations (such as the 57 defects shown here).…”

Section: Boundaries

supporting

confidence: 76%