most citedTheoretical Investigation: 2D N-Graphdiyne Nanosheets as Promising Anode Materials for Li/Na Rechargeable Storage Devices

88 citations · 352 across the 8 of their papers we have counts for

collaborators

14 papers

physics.comp-ph201888 cited

Theoretical Investigation: 2D N-Graphdiyne Nanosheets as Promising Anode Materials for Li/Na Rechargeable Storage Devices

Meysam Makaremi, Bohayra Mortazavi, Timon Rabczuk +2

N-graphdiyne monolayers, a set of carbon-nitride nanosheets, have been synthesized recently through the polymerization of triazine- and pyrazine-based monomers. Since the two-dimen…

physics.comp-ph2018

First-principles investigation of Ag-, Co-, Cr-, Cu-, Fe-, Mn-, Ni-, Pd- and Rh-hexaaminobenzene 2D metal-organic frameworks

Bohayra Mortazavi, Masoud Shahrokhi, Meysam Makaremi +2

In the latest experimental advances, Ni-, Co- and Cu-HAB MOFs were synthesized in 2D forms, with high electrical conductivities and capacitances as well. Motivated by these experim…

physics.comp-ph2018

N-, P-, As-triphenylene-graphdiyne: Strong and stable 2D semiconductors with outstanding capacities as anodes for Li-ion batteries

Bohayra Mortazavi, Masoud Shahrokhi, Mohamed E. Madjet +3

Since the first report of graphdiyne nanomembranes synthesis in 2010, different novel graphdiyne nanosheets have been fabricated. In a latest experimental advance, triphenylene-gra…

physics.comp-ph2018

N-Graphdiyne two-dimensional nanomaterials: Semiconductors with low thermal conductivity and high stretchability

Bohayra Mortazavi, Meysam Makaremi, Masoud Shahrokhi +2

We conducted density functional theory (DFT) and molecular dynamics simulations to explore the mechanical/failure, thermal conductivity and stability, electronic and optical proper…

physics.comp-ph2018

Band Engineering of Carbon Nitride Monolayers by N-type, P-type, and Isoelectronic Doping for Photocatalytic Applications

Meysam Makaremi, Sean Grixti, Keith T. Butler +2

Since hydrogen fuel involves the highest energy density among all fuels, production of this gas through the solar water splitting approach has been suggested as a green remedy for…

physics.app-ph2018

2D Hydrogenated graphene-like borophene as a high capacity anode material for improved Li/Na ion batteries: A first principles study

Meysam Makaremi, Bohayra Mortazavi, Chandra Veer Singh

Fast-growing electronics industry and future energy storage needs have encouraged the design of rechargeable batteries with higher storage capacities, and longer life times. In thi…