Results 121 to 130 of about 2,766 (188)

Tuning the Electronic Properties of Graphane via Hydroxylation: An Ab Initio Study. [PDF]

J Phys Chem C Nanomater Interfaces, 2021
Buonocore F, Capasso A, Celino M, Lisi N, Pulci O.   +4 more
europepmc   +1 more source

Here comes graphane? [PDF]

Nature Chemistry, 2009
openaire   +1 more source

A comprehensive model of nitrogen-free ordered carbon quantum dots. [PDF]

Discov Nano, 2023
Boukhvalov DW, Osipov VY, Hogan BT, Baldycheva A.   +3 more
europepmc   +1 more source

Hydroxide Diffusion in Functionalized Cylindrical Nanopores as Idealized Models of Anion Exchange Membrane Environments: An Ab Initio Molecular Dynamics Study. [PDF]

J Phys Chem C Nanomater Interfaces, 2023
Long Z, Tuckerman ME.
europepmc   +1 more source

The Role of Structural Defects in the Growth of Two-Dimensional Diamond from Graphene. [PDF]

Nanomaterials (Basel), 2022
Varlamova LA, Erohin SV, Sorokin PB.
europepmc   +1 more source

Carbon clusters formed from shocked benzene. [PDF]

Nat Commun, 2021
Dattelbaum DM, Watkins EB, Firestone MA, Huber RC, Gustavsen RL, Ringstrand BS, Coe JD, Podlesak D, Gleason AE, Lee HJ, Galtier E, Sandberg RL.   +11 more
europepmc   +1 more source

OH^- and H₃O⁺ Diffusion in Model AEMs and PEMs at Low Hydration: Insights from Ab Initio Molecular Dynamics. [PDF]

Membranes (Basel), 2021
Zelovich T, Tuckerman ME.
europepmc   +1 more source

Paraben adsorption on carbon-based 2D nanomaterials: molecular mechanisms and implications for environmental pollutant detection. [PDF]

RSC Adv
Umadevi D.
europepmc   +1 more source

Proton Transport on Graphamine: A Deep-Learning Potential Study. [PDF]

J Phys Chem C Nanomater Interfaces
Ananthabhotla LY, Achar SK, Johnson JK.
europepmc   +1 more source

Digital Twins Solve the Mystery of Raman Spectra of Parental and Reduced Graphene Oxides. [PDF]

Nanomaterials (Basel), 2022
Sheka EF.
europepmc   +1 more source