[HTML][HTML] Artificial molecular machines

S Erbas-Cakmak, DA Leigh, CT McTernan… - Chemical …, 2015 - ACS Publications
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 …

Synthetic molecular motors and mechanical machines

ER Kay, DA Leigh, F Zerbetto - … Chemie International Edition, 2007 - Wiley Online Library
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 …

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 …

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 …

Riemann surfaces of carbon as graphene nanosolenoids

F Xu, H Yu, A Sadrzadeh, BI Yakobson - Nano letters, 2016 - ACS Publications
Traditional inductors in modern electronics consume excessive areas in the integrated
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 …

[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 …

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 …

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 …

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 …