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Carbon, ISSN 0008-6223, 11/2019
Journal Article
IEEE Transactions on Multimedia, ISSN 1520-9210, 11/2015, Volume 17, Issue 11, pp. 2094 - 2107
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 09/2016, Volume 18, Issue 38, pp. 26736 - 26742
Two new graphene allotropes, penta-graphene and phagraphene, have been proposed recently with unique electronic properties, e.g. quasi-direct band gap,... 
Charge density | Fracture mechanics | Stress-strain relationships | Graphene | Allotropes | Mechanical properties | Two materials | Crack initiation
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 9/2016, Volume 18, Issue 38, pp. 26736 - 26742
Two new graphene allotropes, penta-graphene and phagraphene, have been proposed recently with unique electronic properties, e.g. quasi-direct band gap,... 
CHEMISTRY, PHYSICAL | STRENGTH | NEGATIVE POISSONS RATIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Journal Article
ACS Applied Materials & Interfaces, ISSN 1944-8244, 03/2018, Volume 10, Issue 10, pp. 8630 - 8639
Journal Article
RSC Advances, 06/2018, Volume 8, Issue 37, pp. 2748 - 2757
Recently synthesized two-dimensional (2D) borophene possesses unique structural, mechanical, electrical and optical properties. Herein, we present a... 
Phosphorene | Hydrogen storage | First principles | Point defects | Vacancies | Calcium | Alkali metals | Borophene | Lithium | Substrates | Molecular chains | Decoration | Charge density | Adsorption | Sodium | Mathematical analysis | Binding energy | Optical properties | Staggering | Density functional theory | Charge transfer | Gravimetry
Journal Article
ISSN 2040-3364, 11/2018, Volume 1, Issue 45, pp. 21335 - 21352
Lithium-sulphur (Li-S) batteries suffer from capacity loss due to the dissolution of lithium polysulfides (LiPSs). Although finding cathodes that can trap... 
Journal Article
Applied Physics Letters, ISSN 0003-6951, 03/2014, Volume 104, Issue 12, p. 122406
Journal Article
ACS Applied Materials and Interfaces, ISSN 1944-8244, 01/2019, Volume 11, Issue 1, pp. 499 - 510
Li-air batteries can yield exceptionally high predicted energy densities. However, for this technology to become realizable, round-trip efficiency issues and... 
Liair battery | 2D phosphorene | catalysis | NEB | DFT | overpotential | MECHANISM | PERFORMANCE | MATERIALS SCIENCE, MULTIDISCIPLINARY | LI2O2 | NANOSCIENCE & NANOTECHNOLOGY | LI-O-2 BATTERY | CATHODE CATALYSTS | ACTIVITY TRENDS | Li-air battery | 1ST-PRINCIPLES | LITHIUM-OXYGEN BATTERIES | REDUCTION REACTION | DOPED GRAPHENE
Journal Article
International Journal of Hydrogen Energy, ISSN 0360-3199, 09/2017, Volume 42, Issue 36, pp. 23018 - 23027
In this study, we studied defect-engineering and lithium decoration of 2D phosphorene for effective hydrogen storage using density functional theory. Contrary... 
Lithium decoration | Phosphorene | Density functional theory | Hydrogen storage | ELECTROCHEMISTRY | LI DISPERSED GRAPHENE | ANODE MATERIALS | ENERGY & FUELS | PERFORMANCE | CHEMISTRY, PHYSICAL | BLACK | Density functionals | Hydrogen | Force and energy | Graphene | Mechanical engineering
Journal Article
Chemosphere, ISSN 0045-6535, 03/2020, Volume 242, p. 125079
Depletion of fossil fuel sources and their emissions have triggered a vigorous research in finding alternative and renewable energy sources. In this regard,... 
Cultivation | Algae | Photobioreactor | Raceway pond | Biofuel | Pretreatment | Lipid
Journal Article
Nanoscale, ISSN 2040-3364, 12/2018, Volume 10, Issue 45, pp. 21335 - 21352
Lithium-sulphur (Li-S) batteries suffer from capacity loss due to the dissolution of lithium polysulfides (LiPSs). Although finding cathodes that can trap... 
RES2 NANOSHEETS | BOROPHENE | PHYSICS, APPLIED | ANODE MATERIALS | PERFORMANCE | MATERIALS SCIENCE, MULTIDISCIPLINARY | NANOSCIENCE & NANOTECHNOLOGY | SULFUR-BATTERIES | POTENTIAL CATHODE | CHEMISTRY, MULTIDISCIPLINARY | ANCHORING MATERIAL | DIRECTIONAL DIFFUSION | ENERGY-STORAGE | DOPED GRAPHENE
Journal Article
Journal Article
ACS Applied Materials & Interfaces, ISSN 1944-8244, 02/2018, Volume 10, Issue 6, pp. 5373 - 5384
Single-layer rhenium disulfide (ReS2) is a unique material with distinctive, anisotropic electronic, mechanical, and optical properties and has the potential... 
Research | ReS | adsorption and diffusion | specific capacity | Li/Na-ion battery | density functional theory | CAPACITY ELECTRODE MATERIAL | MATERIALS SCIENCE, MULTIDISCIPLINARY | GRAPHENE | NANOSHEETS | NANOSCIENCE & NANOTECHNOLOGY | PROMISING ANODE MATERIAL | PHOSPHORENE | LI-ION BATTERIES | ReS2 | ENERGY-STORAGE | METAL | LAYER
Journal Article
Journal of Microelectromechanical Systems, ISSN 1057-7157, 10/2015, Volume 24, Issue 5, pp. 1462 - 1470
Atomistic simulations can be used to compute damping from first principles and gain unprecedented insights into the mechanisms of dissipation. However, the... 
Damping | Thermomechanical processes | Noise | Harmonic analysis | NEMS | Nickel | Silicon | MEMS | molecular dynamics | dissipation | Oscillators | quality factor | PHYSICS, APPLIED | CANTILEVERS | NANOSCIENCE & NANOTECHNOLOGY | ENGINEERING, ELECTRICAL & ELECTRONIC | INSTRUMENTS & INSTRUMENTATION | EMBEDDED-ATOM-METHOD | THERMAL NOISE | DYNAMICS | COMPUTER-SIMULATION
Journal Article
METALS, ISSN 2075-4701, 09/2019, Volume 9, Issue 9, p. 955
Journal Article
RSC Advances, ISSN 2046-2069, 2018, Volume 8, Issue 37, pp. 20748 - 20757
Recently synthesized two-dimensional (2D) borophene possesses unique structural, mechanical, electrical and optical properties. Herein, we present a... 
H-BN | CAPACITY | DFT | 1ST-PRINCIPLES | GRAPHENE | ION | ADSORPTION | CHEMISTRY, MULTIDISCIPLINARY
Journal Article