Δημοσιεύσεις

46 results
2020
[46] Modeling the Hydration-Induced Structural Transitions of the SAPO-34 Zeolite and Their Impact on the Water’s Sorbed Phase Equilibrium and Dynamics (), In J. Phys. Chem. C, volume 124, . [details] [pdf] [doi]
[45] Self-assembled Monolayer Enables HTL-free Organic Solar Cells with 18% Efficiency and Improved Operational Stability ( and ), In ACS Energy Letters, volume in press, . [details] [pdf] [doi]
[44] Water stable molecular n-doping produces organic electrochemical transistors with high transconductance and record stability (), In Nature Communications, volume 11, . [details] [pdf] [doi]
[43] 17.1% Efficient Single‐Junction Organic Solar Cells Enabled by n‐Type Doping of the Bulk‐Heterojunction, In Advanced Science, volume 7, . [details] [pdf] [doi]
[42] A universal solution processed interfacial bilayer enabling ohmic contact in organic and hybrid optoelectronic devices (), In Energy and Environmental Science, volume 13, . [details] [pdf] [doi]
[41] Binding Dynamics of siRNA with selected Lipopeptides: A Computer-Aided Study of the Effect of Lipopeptides’ Functional Groups and Stereoisomerism (), In J. Chem. Theory Comput., volume 16, . [details] [pdf] [doi]
[40] Revisiting the assumptions and implementation details of the BAY model for vortex generator flows (), In Renewable Energy, volume 146, . [details] [pdf] [doi]
[39] Atomistic Simulations of Long-Chain Polyethylene Melts Flowing Past Gold Surfaces: Structure and Wall-Slip (), In Mol. Phys., volume 17, . [details] [pdf] [doi]
2019
[38] Use of the Phen-NaDPO:Sn(SCN)2 Blend as Electron Transport Layer Results to Consistent Efficiency Improvements in Organic and Hybrid Perovskite Solar Cells (), In Advanced Functional Materials, volume 29, . [details] [pdf]
[37] Assessment of transition modeling for high Reynolds flows (), In Aerosp. Sci. Technol., volume 85, . [details] [pdf] [doi]
[36] Multiscale Simulations of Graphite-Capped Polyethylene Melts: Brownian Dynamics/Kinetic Monte Carlo Compared to Atomistic Calculations and Experiment (), In Macromolecules, volume 52, . [details] [pdf] [doi]
[35] Porous Coordination Polymers and Aluminophosphates transform water adsorptive heat to drive solar cooling and heating (), In In Proceedings of the 12th Panhellenic Scientific Conference on Chemical Engineering, . [details] [pdf]
[34] A strongly coupled Eulerian Lagrangian method verified in 2D external compressible flows ( and ), In Computers & Fluids, volume 195, . [details] [pdf] [doi]
[33] Effects of viscosity and nonlinearity on 3D flapping-foil thruster for marine applications ( and ), In OCEANS 2019 - Marseille, volume , . [details] [pdf] [doi]
[32] Ab initio study on structural and electronic properties of ReOFeAs (Re: La, Sm, Nd, Ce, Gd) under hydrostatic pressure (), In Journal of Physics Communications, IOP Publishing, volume 3, . [details] [pdf] [doi]
[31] Introducing a Nonvolatile N-Type Dopant Drastically Improves Electron Transport in Polymer and Small-Molecule Organic Transistors (, , , , , , , and ), In Advanced Functional Materials, volume 29, . [details] [pdf] [doi]
[30] Addition of the Lewis Acid Zn(C6F5)2 Enables Organic Transistors with a Maximum Hole Mobility in Excess of 20 cm2 V−1 s−1 (, , , , , , , , , , and ), In Advanced Materials, . [details] [pdf] [doi]
[29] Highly sensitive and room temperature detection of ultra-low concentrations of O3 using self-powered sensing elements of Cu2O nanocubes (, , , , , and ), In Nanoscale Adv., RSC, volume 1, . [details] [pdf] [doi]
2018
[28] Study of the influence of oscillating trailing edge flaps on the AVATAR rotor using CFD simulations (), In https://doi.org/10.1088/1742-6596/1037/6/062024, volume 1037, . [details] [pdf] [doi]
[27] Slip Spring-Based Mesoscopic Simulations of Polymer Networks: Methodology and the Corresponding Computational Code (, , and ), In Polymers, volume 10, . [details] [pdf] [doi]
[26] Copper (I) Selenocyanate (CuSeCN) as a Novel Hole‐Transport Layer for Transistors, Organic Solar Cells, and Light‐Emitting Diodes (, , , , , , , , , , , and ), In Advanced Functional Materials, volume 28, . [details] [pdf] [doi]
[25] p‐Doping of Copper(I) Thiocyanate (CuSCN) Hole‐Transport Layers for High‐Performance Transistors and Organic Solar Cells (, , , , , , , , , and ), In Advanced Functional Materials, volume 0, . [details] [pdf] [doi]
[24] Defect Perovskites under Pressure: Structural Evolution of Cs2SnX6 (X = Cl, Br, I) (, , , , , , , , , and ), In The Journal of Physical Chemistry C, volume 122, . [details] [pdf] [doi]
[23] Remarkable Enhancement of the Hole Mobility in Several Organic Small‐Molecules, Polymers, and Small‐Molecule:Polymer Blend Transistors by Simple Admixing of the Lewis Acid p‐Dopant B(C6F5)3 (, , , , , , , , and ), In Advanced Science, volume 5, . [details] [pdf] [doi]
[22] Computational Studies of Nanographene Systems: Extended Discotics, Covalently Linked “Supermolecules,” and Functionalized Supramolecular Assemblies (, , and ), In The Journal of Physical Chemistry C, volume 122, . [details] [pdf] [doi]
2017
[21] Two-dimensional thio- and seleno-cyanates of Mo and W (, and ), In Journal of Physics: Condensed Matter, volume 29, . [details] [pdf] [doi]
[20] Molecular Dynamics Phenomena of Water in the Metalorganic Framework MIL-100(Al), as Revealed by Pulsed Field Gradient NMR and Atomistic Simulation (, , , , , , , , , and ), In The Journal of Physical Chemistry C, volume 121, . [details] [pdf] [doi]
[19] Molecular Simulations of Free and Graphite Capped Polyethylene Films: Estimation of the Interfacial Free Energies (, , , , , and ), In Macromolecules, volume 50, . [details] [pdf] [doi]
[18] Slip-Spring Model for the Linear and Nonlinear Viscoelastic Properties of Molten Polyethylene Derived from Atomistic Simulations (, and ), In Macromolecules, volume 50, . [details] [pdf] [doi]
[17] Exploring the interactions of irbesartan and irbesartan–2-hydroxypropyl-β-cyclodextrin complex with model membranes (, , , , , , , , , , , , , , , , , , and ), In Biochimica et Biophysica Acta (BBA) - Biomembranes, volume 1859, . [details] [pdf] [doi]
[16] Summary of the Blind Test Campaign to predict the High Reynolds number performance of DU00-W-210 airfoil (, , , , , , , , , and ), In 35th Wind Energy Symposium, . [details] [pdf] [doi]
[15] Two-dimensional Mo(SCN) 2 : a novel MoS 2 -variant ( and ), In Journal of Physics: Condensed Matter, volume 29, . [details] [pdf] [doi]
[14] Pragmatic analysis of the electric submerged arc furnace continuum (, , and ), In Royal Society Open Science, The Royal Society, volume 4, . [details] [pdf] [doi]
[13] Two-dimensional metal-phosphorus monohydrides (), In FlatChem, volume 2, . [details] [pdf] [doi]
[12] Magnetic two-dimensional C3N2 carbonitrides: semiconductors, metals and half-metals ( and ), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 19, . [details] [pdf] [doi]
2016
[11] Water adsorption behaviour of CAU-10-H: a thorough investigation of its structure-property relationships (, , , , , , , , , , and ), In J. Mater. Chem. A, The Royal Society of Chemistry, volume 4, . [details] [pdf] [doi]
[10] Atomistic and Coarse-grained Simulations of Hexabenzocoronene Crystals (, and ), In Journal of Physics: Conference Series, volume 738, . [details] [pdf] [doi]
[9] Novel Au- and Ge-based two-dimensional materials formed through topotactic transitions of AlB2-like structures (), In Nanoscale, The Royal Society of Chemistry, volume 8, . [details] [pdf] [doi]
[8] Functionalization of two-dimensional phthalo-carbonitride with metal atoms (), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, . [details] [pdf] [doi]
[7] Copper thiocyanate: polytypes, defects, impurities, and surfaces (), In Journal of Physics: Condensed Matter, volume 28, . [details] [pdf] [doi]
[6] Two-dimensional cyanates: stabilization through hydrogenation (), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, . [details] [pdf] [doi]
[5] Phthalo-carbonitride: an ab initio prediction of a stable two-dimensional material (), In 2D Materials, volume 3, . [details] [pdf] [doi]
[4] Two-dimensional copper thio- and seleno-cyanates (), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, . [details] [pdf] [doi]
[3] Functionalization of two-dimensional phthalo-carbonitride with metal atoms (), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, . [details] [pdf] [doi]
[2] Bona-fide method for the determination of short range order and transport properties in a ferro-aluminosilicate slag (), In , The Author(s) SN -, volume 6, . [details] [pdf] [doi]
[1] Computing the flow past Vortex Generators: Comparison between RANS Simulations and Experiments (, , , , and ), In Journal of Physics: Conference Series, volume 753, . [details] [pdf] [doi]