Keywords: گرافدیین; Graphdiyne; Adsorption; Nanosheet; Energy band gap; Formation energy;
مقالات ISI گرافدیین (ترجمه نشده)
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Keywords: گرافدیین; Graphyne; Graphdiyne; Negative thermal expansion; Young's modulus; High Poisson's ratio; Anisotropic elastic behavior; Molecular dynamics;
Keywords: گرافدیین; Graphdiyne; Metal decorated; Electronic properties; Nanoribbon;
Keywords: گرافدیین; Graphyne; Graphdiyne; Hydroxylation; Geometries; Electronic structures;
Keywords: گرافدیین; Graphyne; Graphdiyne; Edge oxidation; Li-decoration;
Keywords: گرافدیین; Graphdiyne; Vacancy; Mechanical property; SCC-DFTB; Ab initio MD simulation
Keywords: گرافدیین; Graphdiyne; Copper surface; Interface; Bonding strength; Charge transfer; Density of state;
N-, P-, As-triphenylene-graphdiyne: Strong and stable 2D semiconductors with outstanding capacities as anodes for Li-ion batteries
Keywords: گرافدیین; Graphdiyne; First-principles; Li-ion batteries; 2D material;
DFT-NEGF simulation of graphene-graphdiyne-graphene resonant tunneling transistor
Keywords: گرافدیین; Graphdiyne; Graphene; Heterojunction; Resonant tunneling transistor; DFT-NEGF;
Investigation of NH3 adsorption behavior on graphdiyne nanosheet and nanotubes: A first-principles study
Keywords: گرافدیین; Graphdiyne; Nanosheet; Adsorption; Nanotube; HOMO-LUMO gap; Formation energy;
In-situ constructing 3D graphdiyne as all-carbon binder for high-performance silicon anode
Keywords: گرافدیین; Graphdiyne; Silicon anode; 2D material; Lithium-ion battery; All-carbon binder;
Graphdiyne-modified cross-linkable fullerene as an efficient electron-transporting layer in organometal halide perovskite solar cells
Keywords: گرافدیین; Perovskite solar cells; Cross-linkable fullerene; Graphdiyne; Face-on orientation;
Graphdiyne-WS2 2D-Nanohybrid electrocatalysts for high-performance hydrogen evolution reaction
Keywords: گرافدیین; Graphdiyne; WS2; Hybrid; Hydrogen evolution reaction; Electrocatalyst;
Interaction of Imuran, Pentasa and Hyoscyamine drugs and solvent effects on graphdiyne nanotube as a drug delivery system - A DFT study
Keywords: گرافدیین; Graphdiyne; Nanotube; Imuran; Pentasa; Hyoscyamine; Adsorption;
Improved electron transport in MAPbI3 perovskite solar cells based on dual doping graphdiyne
Keywords: گرافدیین; Graphdiyne; Dual doping; Electron transport layers; MAPbI3; Perovskite solar cells;
N-doped graphdiyne for high-performance electrochemical electrodes
Keywords: گرافدیین; Graphdiyne; Porous carbon; Supercapacitor; Oxygen reduction reaction; 2D material;
Two-dimensional ferromagnetism and spin filtering in Cr and Mn-doped graphdiyne
Keywords: گرافدیین; Graphdiyne; Ferromagnetic semiconductor; Spin filtering;
High-efficient physical adsorption and detection of formaldehyde using Sc- and Ti-decorated graphdiyne
Keywords: گرافدیین; Graphdiyne; Single molecule detection; Molecular doping;
Sodium-intercalated bulk graphdiyne as an anode material for rechargeable batteries
Keywords: گرافدیین; Anode material; Rechargeable batteries; Graphdiyne; Density functional theory; Transition state barrier; Diffusion;
Graphdiyne Nanowalls as Anode for Lithium-Ion Batteries and Capacitors Exhibit Superior Cyclic Stability
Keywords: گرافدیین; Graphdiyne; LithiumâIon; Batteries; Capacitors; Cyclic Stability;
Graphdiyne nanostructures as a new electrode material for electrochemical supercapacitors
Keywords: گرافدیین; Graphdiyne; Raman spectrum; Cyclic voltammetry; Nyquist plot; Supercapacitors;
First principles study on the interfacial properties of NM/graphdiyne (NMÂ =Â Pd, Pt, Rh and Ir): The implications for NM growing
Keywords: گرافدیین; Interfacial properties; Graphdiyne; Noble metal; DFT-D;
Graphdiyne for high capacity and long-life lithium storage
Keywords: گرافدیین; Graphdiyne; Electrochemical performance; Lithium storage; High capacity; Long cycle lives;
Mechanical properties of graphdiyne sheet
Keywords: گرافدیین; Graphdiyne; Mechanical; Elastic; Strain
IR study of temperature induced rearrangements of dehydrobenzoannulenes
Keywords: گرافدیین; Dehydrobenzoannulenes; Graphdiyne; Temperature-derivative IR spectroscopy; Heat of formation; Polymerization