A5079008274- Perovskite Materials and Applications
- Graphene research and applications
- Conducting polymers and applications
- Organic Electronics and Photovoltaics
- Advancements in Battery Materials
- Advanced Battery Materials and Technologies
- Advanced Battery Technologies Research
- Thermal properties of materials
- 2D Materials and Applications
- Quantum Dots Synthesis And Properties
- Metal and Thin Film Mechanics
- Advanced Thermoelectric Materials and Devices
- Semiconductor materials and devices
- nanoparticles nucleation surface interactions
- Copper Interconnects and Reliability
- Machine Learning in Materials Science
- High Entropy Alloys Studies
- Molecular Junctions and Nanostructures
- Diamond and Carbon-based Materials Research
- Carbon Nanotubes in Composites
- Microstructure and mechanical properties
- Thin-Film Transistor Technologies
- Surface and Thin Film Phenomena
- Advanced Materials Characterization Techniques
- Block Copolymer Self-Assembly
Research Center for Applied Science, Academia Sinica
2015-2024
National Yang Ming Chiao Tung University
2020-2024
Academia Sinica
2011-2023
National Dong Hwa University
2021-2023
National Chung Hsing University
2019
Los Alamos National Laboratory
2008-2009
Princeton University
2006-2007
Intermetallic alloys have traditionally been characterized by their inherent brittleness due to lack of sufficient slip systems and absence strain hardening. However, here we developed a single-phase B2 high-entropy intermetallic alloy that is both strong plastic. Unlike conventional intermetallics, this features highly distorted crystalline lattice with complex chemical order, leading multiple high flow stress. In addition, the exhibits dynamic hardening mechanism triggered dislocation...
In this study, we developed a multiscale molecular simulation framework including coarse-grained (CG) simulation, reverse-mapping, and morphology evaluation schemes to investigate the nanoscale morphologies of bulk heterojunction (BHJ) blend films comprising poly(3-hexylthiophene) (P3HT) methanofullerene derivative PCBM. A stable phase-separated film with fibrillar P3HT structure was observed after CG thermal annealing process, by reverse-mapping technique atomistic details—showing strong...
We fabricated the defect passivation of perovskite solar cells using CdSe/ZnS quantum dots. The efficient reduces trap charge density and elongates carrier life time.
Large-area graphene grown by chemical vapour deposition (CVD) is promising for applications; however, the interaction between and substrate still not well understood. In this report, we use a combination of two non-destructive characterization techniques, i.e., electron backscatter diffraction (EBSD) Raman mapping to locally probe interface copper lattices without removing graphene. We conclude that crystal structure Cu grains under layers governed competing processes: (1) induced surface...
Growth of large-area, few-layer graphene has been reported recently through the catalytic decomposition methane (CH(4)) over a Cu surface at high temperature. In this study, we used ab initio calculations to investigate minimum energy pathways successive dehydrogenation reactions CH(4) (111) surface. The geometries and energies all reaction intermediates transition states were identified using climbing image nudged elastic band method. activation barriers for are much lower than those in gas...
In this study, we have strategically designed and convergently synthesized two novel, symmetrical, linear A-D-A-type π-conjugated donor molecules (TBDTCNR, TBDTCN), each containing a planar electron-rich 2-octylthiene-5-yl-substituted benzodithiophene (TBDT) unit as the core, flanked by octylthiophene units end-capped with electron-deficient cyanoacetate (CNR) or dicyanovinyl (CN) units. We thoroughly characterized both of these materials investigated effects end groups (CNR, CN) on their...
A moiré superlattice formed in twisted van der Waals bilayers has emerged as a new tuning knob for creating electronic states two-dimensional materials. Excitonic properties can also be altered drastically due to the presence of potential. However, quantifying potential excitons is nontrivial. By large ensemble MoSe2/MoS2 heterobilayers with systematic variation twist angles, we map out minibands interlayer and intralayer function from which determine excitons. Surprisingly, depth up ∼130...
Abstract Structural engineering has proven effective in tailoring the photocatalytic properties of semiconductor nanostructures. In this work, a sophisticated double‐hollow yolk@shell nanostructure composed plasmonic, mobile, hollow Au nanosphere (HGN) yolk and permeable, CdS shell is proposed to achieve remarkable solar hydrogen production. The thickness HGN@CdS finely adjusted from 7.7, 18.4 24.5 nm investigate its influence on performance. Compared with pure HGN, CdS, physical mixture HGN...
Atomic simulations of the growth polycrystalline Ni demonstrate that deposited atoms incorporate into film at boundaries, resulting in compressive stress generation. Incorporated can also leave boundaries and thus relieve stress. This leads to a complex interplay between stress, adatom incorporation, surface structure. A simple, theoretical model accounts for grain size effects is proposed good agreement with simulation results.
Solvent screening is a critical aspect of the nanomorphological control low-cost, all-solution-processed bulk heterojunction organic photovoltaic cells. In order to reveal correlations between solvent/solvent mixtures and nanomorphologies during solution-processing, we constructed multiscale, coarse-grained molecular simulation model for ternary solvent/P3HT/PCBM systematically investigate P3HT/PCBM blends solution-processing in solutions over wide range solubilities solvent evaporation...
Single-crystal antimonene flakes are observed on sapphire substrates after the postgrowth annealing procedure of amorphous antimony (Sb) droplets prepared by using molecular beam epitaxy at room temperature. The large wetting angles to substrate suggest that an alternate should be adopted obtain a continuous film. By bilayer MoS2/sapphire sample as new substrate, and single-crystal film is obtained low growth temperature 200 °C. results consistent with theoretical prediction lower interface...
A separator comprising polypropylene (PP)coated with MoO<sub>3</sub> nanobelts, prepared through facile grinding of commercial powder, exhibit excellent electrochemical performance at high C-rate for Li–S battery.
The rapid development of energy storage devices has pushed Li-ion batteries (LIBs) bear down for higher performance, better safety, lower cost, and capable to operate in wide range temperatures. However,...
Previous studies of the thermal transport in MoS2 are limited to 0° (zigzag) and 30° (armchair) chiralities. We investigate anisotropic properties nanoribbons with various crystal chiralities by employing full-band phonon dispersion relations obtained from first-principle calculations. The ribbons other than always have lower conductivity, yet a local maximum at 19.1°. In addition, conductivity can be further decreased increasing edge roughness due largely degraded longitudinal phonons....
Fully inorganic perovskites based on Bi3+ and Sb3+ are emerging as alternatives that overcome the toxicity low stability of their Pb-based perovskite counterparts. Nevertheless, thin film fabrication Pb-free remains a struggle, with poor morphologies incomplete conversions greatly inhibiting device performance. In this study, we modulated crystallization an all-inorganic dimer phase Sb (d-Cs3Sb2I9) through gradual increase in annealing temperature, accompanied by use Lewis bases for adduct...
Hybrid organic-inorganic perovskite materials are promising for photovoltaic and optoelectronic applications. Nevertheless, the construction of a computationally efficient potential model atomistic simulations with high fidelity to ab initio calculations is not trivial task given chemically complex nature in terms its chemical components interatomic interactions. In present study, we demonstrate that artificial neural network (ANN) models can be employed accurate energy evaluation MAPbI3...
Calcium titanium oxide has emerged as a highly promising material for optoelectronic devices, with recent studies suggesting its potential favorable thermoelectric properties. However, current experimental observations indicate low performance, significant gap between these and theoretical predictions. Therefore, this study employs combined approach of experiments simulations to thoroughly investigate the impact structural directional differences on properties two-dimensional (2D)...
We performed a series of hybrid molecular-dynamics simulations island growth on substrate and monitored stress evolution for several different island/substrate interfacial energies. Smaller (larger) energy yields islands with stronger (weaker) compressive stress-thickness product. present analytical results that suggest the product is linear function coverage, slope equal to minus surface stress, if in mechanical equilibrium, verify these simulation data.
The nanoscale mechanism determining the optimal electron donor/acceptor blending ratios is not yet clear. In this study, we used coarse-grained molecular simulations to simulate thermal annealing process of poly-2,5-bis(3-tetradecylthiophene-2-yl)thieno[3,2-b]thiophene (PBTTT):[6,6]-phenyl-C61-butyric acid methyl ester (PCBM) blends reveal correlation between solubility PCBM in donor materials and ratio bulk heterojunction polymer solar cells. Substantial intercalation into PBTTT observed,...