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[HTML][HTML] Artificial molecular machines
The widespread use of molecular machines in biology has long suggested that great
rewards could come from bridging the gap between synthetic molecular systems and the …
rewards could come from bridging the gap between synthetic molecular systems and the …
Synthetic molecular motors and mechanical machines
The widespread use of controlled molecular‐level motion in key natural processes suggests
that great rewards could come from bridging the gap between the present generation of …
that great rewards could come from bridging the gap between the present generation of …
Efficient Implementation of a van der Waals Density Functional:<? format?> Application to Double-Wall Carbon Nanotubes
G Román-Pérez, JM Soler - Physical review letters, 2009 - APS
We present an efficient implementation of the van der Waals density functional of Dion et
al.[Phys. Rev. Lett. 92, 246401 (2004)] PRLTAO 0031-9007 10.1103/PhysRevLett …
al.[Phys. Rev. Lett. 92, 246401 (2004)] PRLTAO 0031-9007 10.1103/PhysRevLett …
Interlayer interaction and relative vibrations of bilayer graphene
IV Lebedeva, AA Knizhnik, AM Popov… - Physical Chemistry …, 2011 - pubs.rsc.org
The van der Waals corrected first-principles approach (DFT-D) is for the first time applied for
investigation of interlayer interaction and relative motion of graphene layers. A …
investigation of interlayer interaction and relative motion of graphene layers. A …
Riemann surfaces of carbon as graphene nanosolenoids
Traditional inductors in modern electronics consume excessive areas in the integrated
circuits. Carbon nanostructures can offer efficient alternatives if the recognized high …
circuits. Carbon nanostructures can offer efficient alternatives if the recognized high …
Commensurate-incommensurate phase transition in bilayer graphene
AM Popov, IV Lebedeva, AA Knizhnik, YE Lozovik… - Physical Review B …, 2011 - APS
A commensurate-incommensurate phase transition in bilayer graphene is investigated in the
framework of the Frenkel-Kontorova model extended to the case of two interacting chains of …
framework of the Frenkel-Kontorova model extended to the case of two interacting chains of …
[PDF][PDF] Свойства и нанотехнологические применения нанотрубок
ЮЕ Лозовик, АМ Попов - Успехи физических наук, 2007 - academia.edu
В последнее десятилетие достигнут значительный прогресс в развитии наномеханики.
В частности, продемонстрирована возможность манипуляции объектами …
В частности, продемонстрирована возможность манипуляции объектами …
Study of polycyclic aromatic hydrocarbons adsorbed on graphene using density functional theory with empirical dispersion correction
OV Ershova, TC Lillestolen… - Physical Chemistry …, 2010 - pubs.rsc.org
The interaction of polycyclic aromatic hydrocarbon molecules with hydrogen-terminated
graphene is studied using density functional theory with empirical dispersion correction. The …
graphene is studied using density functional theory with empirical dispersion correction. The …
Atomic-scale defects restricting structural superlubricity: Ab initio study on the example of the twisted graphene bilayer
AS Minkin, IV Lebedeva, AM Popov, AA Knizhnik - Physical Review B, 2021 - APS
The potential energy surface (PES) of interlayer interaction of twisted bilayer graphene with
vacancies in one of the layers is investigated via density functional theory (DFT) calculations …
vacancies in one of the layers is investigated via density functional theory (DFT) calculations …
Interlayer interaction and related properties of bilayer hexagonal boron nitride: ab initio study
AV Lebedev, IV Lebedeva, AA Knizhnik, AM Popov - RSC Advances, 2016 - pubs.rsc.org
The principal characteristics of interlayer interaction and relative motion of hexagonal boron
nitride (h-BN) layers are investigated by the first-principles method taking into account van …
nitride (h-BN) layers are investigated by the first-principles method taking into account van …