Articles with public access mandates - Roberts EglitisLearn more
Not available anywhere: 10
Novel carbon nanotubes rolled from 6, 6, 12-graphyne: double dirac points in 1D material
DC Yang, R Jia, Y Wang, CP Kong, J Wang, Y Ma, RI Eglitis, HX Zhang
The Journal of Physical Chemistry C 121 (27), 14835-14844, 2017
Mandates: National Natural Science Foundation of China
Novel 2D boron nitride with optimal direct band gap: A theoretical prediction
FY Li, DC Yang, L Qiao, RI Eglitis, R Jia, ZJ Yi, HX Zhang
Applied Surface Science 578, 151929, 2022
Mandates: National Natural Science Foundation of China
A novel TC 3 N and seawater desalination
JQ Zhou, L Li, C Fu, J Wang, P Fu, CP Kong, FQ Bai, RI Eglitis, HX Zhang, ...
Nanoscale 12 (8), 5055-5066, 2020
Mandates: National Natural Science Foundation of China
Doping at sp3-site in Me-graphene (C568) for new anodes in rechargeable Li-ion battery
WH Zhao, FY Li, HX Zhang, RI Eglitis, J Wang, R Jia
Applied Surface Science 607, 154895, 2023
Mandates: European Commission
Dipoles in 4, 12, 4-graphyne
DC Yang, YB Tan, RI Eglitis, S Bibi, R Jia, HX Zhang
Applied Surface Science 545, 148991, 2021
Mandates: National Natural Science Foundation of China
Carbon nanotubes rolled from Me-graphene
HC Luo, FY Li, WH Zhao, HX Zhang, RI Eglitis, J Chen, R Jia
Diamond and Related Materials 135, 109845, 2023
Mandates: European Commission
Enhancing photocatalytic overall water-splitting performance on dual-active-sites of the Co–P@ MoS 2 catalysts: a DFT study
J Ma, X Wang, D Yang, J Fan, X Lai, RI Eglitis, Y Liu
Physical Chemistry Chemical Physics 25 (32), 21554-21561, 2023
Mandates: National Natural Science Foundation of China
Elastic, electronic and optical properties of boron-and nitrogen-doped 4, 12, 4-graphyne nanosheet
DC Yang, P Zhang, R Jia, CP Kong, RI Eglitis, YK Chen, HX Zhang
Physica E: Low-dimensional Systems and Nanostructures 121, 114053, 2020
Mandates: National Natural Science Foundation of China
Reasonable BN nanotubes composed of B–B and N–N bonds: A theoretical prediction
FY Li, RI Eglitis, HX Zhang, R Jia
Applied Surface Science 608, 155156, 2023
Mandates: European Commission
Penta-silicon carbide: A theoretical investigation
ZY Liu, DC Yang, RI Eglitis, R Jia, HX Zhang
Materials Science and Engineering: B 281, 115740, 2022
Mandates: National Natural Science Foundation of China
Available somewhere: 33
Ab initio calculations of and (001) and (011) surface structures
RI Eglitis, D Vanderbilt
Physical Review B—Condensed Matter and Materials Physics 76 (15), 155439, 2007
Mandates: German Research Foundation
First-principles calculations of atomic and electronic structure of (001) and (011) surfaces
RI Eglitis, D Vanderbilt
Physical Review B—Condensed Matter and Materials Physics 77 (19), 195408, 2008
Mandates: German Research Foundation
Ab initio calculations of the atomic and electronic structure of (001) and (011) surfaces
RI Eglitis, D Vanderbilt
Physical Review B—Condensed Matter and Materials Physics 78 (15), 155420, 2008
Mandates: German Research Foundation
Ab initio calculations of the BaTiO3 (100) and (110) surfaces
RI Eglitis, G Borstel, E Heifets, S Piskunov, E Kotomin
Journal of electroceramics 16, 289-292, 2006
Mandates: German Research Foundation
Comparative Hybrid Hartree-Fock-DFT Calculations of WO2-Terminated Cubic WO3 as Well as SrTiO3, BaTiO3, PbTiO3 and CaTiO3 (001) Surfaces
RI Eglitis, J Purans, R Jia
Crystals 11 (4), 455, 2021
Mandates: European Commission
Tendencies in ABO3 Perovskite and SrF2, BaF2 and CaF2 Bulk and Surface F-Center Ab Initio Computations at High Symmetry Cubic Structure
RI Eglitis, J Purans, AI Popov, R Jia
Symmetry 13 (10), 1920, 2021
Mandates: European Commission
The electronic properties of an oxygen vacancy at ZrO 2-terminated (001) surfaces of a cubic PbZrO 3: computer simulations from the first principles
EA Kotomin, S Piskunov, YF Zhukovskii, RI Eglitis, A Gopejenko, DE Ellis
Physical Chemistry Chemical Physics 10 (29), 4258-4263, 2008
Mandates: German Research Foundation
Review of systematic tendencies in (001),(011) and (111) surfaces using B3PW as well as B3LYP computations of BaTiO3, CaTiO3, PbTiO3, SrTiO3, BaZrO3, CaZrO3, PbZrO3 and SrZrO3 …
RI Eglitis, R Jia
Materials 16 (24), 7623, 2023
Mandates: European Commission
Ab Initio Computations of O and AO as well as ReO2, WO2 and BO2-Terminated ReO3, WO3, BaTiO3, SrTiO3 and BaZrO3 (001) Surfaces
RI Eglitis, J Purans, AI Popov, D Bocharov, A Chekhovska, R Jia
Symmetry 14 (5), 1050, 2022
Mandates: European Commission
How does graphene enhance the photoelectric conversion efficiency of dye sensitized solar cells? An insight from a theoretical perspective
JY Xi, R Jia, W Li, J Wang, FQ Bai, RI Eglitis, HX Zhang
Journal of Materials Chemistry A 7 (6), 2730-2740, 2019
Mandates: National Natural Science Foundation of China
Publication and funding information is determined automatically by a computer program