A5101891290- 2D Materials and Applications
- Metal-Organic Frameworks: Synthesis and Applications
- Molecular Junctions and Nanostructures
- Electronic and Structural Properties of Oxides
- Synthesis and Biological Evaluation
- Organic and Molecular Conductors Research
- Covalent Organic Framework Applications
- Chalcogenide Semiconductor Thin Films
- Advanced Photocatalysis Techniques
- Graphene research and applications
- Machine Learning in Materials Science
- Quantum Computing Algorithms and Architecture
- Catalytic Processes in Materials Science
- Catalysts for Methane Reforming
- Superconductivity in MgB2 and Alloys
- CO2 Reduction Techniques and Catalysts
- Synthesis and Reactions of Organic Compounds
- Copper-based nanomaterials and applications
- Advanced Chemical Physics Studies
- Pharmacological Receptor Mechanisms and Effects
- MXene and MAX Phase Materials
- Molecular spectroscopy and chirality
- Thermal Expansion and Ionic Conductivity
- Electrochemical Analysis and Applications
- Surface and Thin Film Phenomena
Huanggang Normal University
2025
Zhaoqing University
2023-2024
National Changhua University of Education
2023
National Center for Theoretical Sciences, Physics Division
2022
Institute of Physics, Academia Sinica
2020-2022
National Center for Theoretical Sciences
2021-2022
Temple University
2019-2022
City University of Hong Kong
2022
Institute of Atomic and Molecular Sciences, Academia Sinica
2020-2022
National Taiwan University
2020
Abstract A single molecular layer of titanium diselenide (TiSe 2 ) is a promising material for advanced electronics beyond graphene—a strong focus current research. Such layers are at the quantum limit device miniaturization and can show enhanced electronic effects not realizable in thick films. We that single-layer TiSe exhibits charge density wave (CDW) transition critical temperature T C =232±5 K, which higher than bulk =200±5 K. Angle-resolved photoemission spectroscopy measurements...
Metallization of covalent bonds can bring about superconductivity in materials. Mostly, it is achieved either by introducing dopants into the semiconducting parent compounds or shifting Fermi level external gating. Intrinsic pure materials rare. In this work, we predict intrinsic a previously proposed two-dimensional organic framework (COF). The metallization making lone pairs nitrogen atoms partially participate bonding. More interestingly, our calculations electron-phonon couplings and...
Bismuth oxyhalides (BiOX, X = F, Cl, Br, I) are emerging energy materials because of their remarkable catalytic activity. The BiOX compounds usually have a tetragonal type crystal structure with unique layered morphology consisting [X-Bi-O-Bi-X] sheets. Although the nanosheets exposed {001} facets perform superior photoactivity, there is lack understanding about capability in electrochemical CO2 reduction reaction (CO2RR). Herein, we adopt wet-chemical syntheses to make 2D BiOCl and Pd-doped...
The molecular orbitals for H_2, LiH, and water are calculated using a quantum algorithm based on the Daubechies wavelet theory: Accurate results achieved, while keeping number of qubits minimal.
By means of first-principles calculations, the two-dimensional magnetic metal–organic framework, manganese phthalocyanine (MnPc), is proposed to exhibit nearly zero Poisson's ratio within elastic regime. Negative can be reached by further increasing uniaxial tensile strain beyond yield point. Such an unusual mechanical property found rely on spin-state Mn atoms. Without strain, ground state ferrimagnetic and half-metallic. Interestingly, as interatomic distance between atoms increases under...
Tailoring interlayer coupling has emerged as a powerful tool to tune the electronic structure of van der Waals (vdW) bilayers. One example is usage ``moir\'e pattern'' create controllable two-dimensional superlattices through configurational dependence couplings. This approach led some remarkable discoveries in twisted graphene bilayers, and transition metal dichalcogenide homo- heterobilayers. However, largely unexplored factor distance $d$, which can impact strength exponentially. In this...
Abstract High superconducting critical temperature ( <?CDATA ${T}_{c}$?> <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mml:msub> <mml:mrow> <mml:mi>T</mml:mi> </mml:mrow> <mml:mi>c</mml:mi> </mml:msub> </mml:math> ) of 73.6 K at ambient pressure is predicted in BSiC 2 by means the first-principles electron–phonon calculations. Without need for doping or pressurization, stoichiometric exhibits strong coupling (EPC) and highest among BCS-superconductors pressure....
With first-principles calculations we predict tunable topological phase transition in two-dimensional (2D) ternary metal halides α -Ti X I ( = P and As) via strain engineering. Besides, changing the number of stacking layers or van der Waals interlayer spacing can also result few-layer Ti I. The on-site Coulomb U atoms is neither nor empirical this work. Instead, it evaluated by density functional perturbation theory hence results are more accurate. 2D engineering makes them promising...
Tailoring interlayer coupling has emerged as a powerful tool to tune the electronic structure of van der Waals (vdW) bilayers. One example is usage moire pattern create controllable two-dimensional superlattices through configurational dependence couplings. This approach led some remarkable discoveries in twisted graphene bilayers, and transition metal dichalcogenide (TMD) homo- hetero-bilayers. However, largely unexplored factor distance, d, which can impact strength exponentially. In this...
Hydrogen spillover involves the dissociation of H2 on transition metal nanoparticles and further atomic hydrogen surface migration catalyst supports. Hence, phenomenon has been reported in applications heterogeneous catalysis hydrogenation room-temperature storage. However, a proper design is requisite to initiate spillover, considering particle dispersion, sorbent modification, porosity, etc. In this report, we pyrolyzed zeolitic imidazolate framework ZIF-67 for residual Co N-dopant...
Abstract Substance use disorder remains a major, unmet medical need. Cocaine is one of the most commonly abused recreational drugs and in 2018, there were over 5.5 million current cocaine users. There are no approved therapies for treatment disorder, but D 3 dopamine receptor has been identified as potential therapeutic target. We have series functionalized diamino-butylbenzamides that potent D3 binders with moderate to high selectivity 2 .