A5038200624- 2D Materials and Applications
- Perovskite Materials and Applications
- MXene and MAX Phase Materials
- Graphene research and applications
- Quantum Dots Synthesis And Properties
- Advanced Photocatalysis Techniques
- Chalcogenide Semiconductor Thin Films
- ZnO doping and properties
- Additive Manufacturing Materials and Processes
- Control and Dynamics of Mobile Robots
- Boron and Carbon Nanomaterials Research
- Sulfur-Based Synthesis Techniques
- Thermal properties of materials
- Polyoxometalates: Synthesis and Applications
- Phase-change materials and chalcogenides
- Transition Metal Oxide Nanomaterials
- Advanced Thermoelectric Materials and Devices
- Organic Light-Emitting Diodes Research
- Metallic Glasses and Amorphous Alloys
- Cellular and Composite Structures
- Ferroelectric and Piezoelectric Materials
- Electrodeposition and Electroless Coatings
- Radical Photochemical Reactions
- Additive Manufacturing and 3D Printing Technologies
- CO2 Reduction Techniques and Catalysts
Nanyang Technological University
2017-2024
Singapore Polytechnic
2018-2020
Infineon Technologies (Singapore)
2018-2020
Recent success in the experimental isolation and synthesis of highly stable atomically thin antimonene has triggered great interest into examining its potential role nanoelectronic applications. In this work, we investigate mechanical electronic properties monolayer most $\ensuremath{\beta}$-phase using first-principles calculations. The upper region valence band is found to solely consist lone pair $p$-orbital states, which are by nature more delocalized than $d$-orbital states transition...
Abstract Rapid development of perovskite solar cells is challenged by the fact that current semiconductors hardly act as efficient electron transport materials can feature both high mobility and a well-matched energy level to perovskite. Here we show T-carbon, newly emerging carbon allotrope, could be an ideal candidate meet this challenge. By using first-principles calculations deformation potential theory, it found T-carbon semiconductor with direct bandgap 2.273 eV, in conduction band...
Antimonene, a new group-VA 2D semiconducting material beyond phosphorene, was recently synthesized through various approaches and shown to exhibit good structural integrity in ambient conditions interesting properties. In this work, we perform systematical first-principles investigations on the interactions of antimonene with small molecules CO, NO, NO2, H2O, O2, NH3 H2. It is found that serve as charge acceptors, while CO shows negligible transfer. H2 acts donor amount transfer being ten...
Abstract Fabric‐based materials have demonstrated promise for high‐performance wearable applications but are currently restricted by their deficient mechanical properties. Here, this work leverages the design freedom offered additive manufacturing and a novel interlocking pattern to first time fabricate dual‐faced chain mail structure consisting of 3D re‐entrant unit cells. The flexible structured fabric demonstrates high specific energy absorption strength up 1530 J kg −1 5900 Nm ,...
Abstract Selective CO 2 photoreduction to C hydrocarbons is significant but limited by the inadequate adsorption strength of reaction intermediates and low efficiency proton transfer. Herein, an ameliorative *CO H O activation strategy realized via decorating bismuth oxychloride (BiOCl) nanostructures with different metal (Pt, Pd, Au) species. Experimental theoretical calculation results reveal that distinct binding energies *H acquisition abilities cocatalysts mediate reduction activity...
Zero-dimensional (0D) organic–inorganic metal halides, with their high stability and broadband emission features, have aroused great interest in optoelectronic applications. Metal halides of the type Bmpip2MX4 (M = Pb, Sn, or Ge; X I Br) 0D disphenoidal coordinated structures that offer an excellent opportunity to investigate emissive nature molecular behavior. Herein, photophysical properties carrier transport behavior are studied by using density functional theory. Our results indicate...
Abnormal behavior of the cationic vacancies in a γ-GeSe monolayer, originated from stereo-chemical antibonding lone-pair state near valence band maximum, is promising application memristors.
Heterovalent Bi doping in lead halide perovskites has shown increased stability and high power conversion efficiency (PCE), yet the exact role it played remains poorly understood. Here, comprehensive impact that dopants can have on photoelectric photovoltaic performances is predicted. Compared to pristine perovskites, addition of a modest content (<0.4) facilitate decreased band gap with lower electron–hole pair creation energy, red-shifted optical absorption, enlarged Stokes shift, higher...
Layered two-dimensional materials like graphene are highly appealing for lithium battery applications owing to their high surface-volume ratios. However, a critical issue that limits practical is the confined motion of atoms within van der Waal's gaps, which leading cause failure due severe clustering and phase separation. Here we demonstrate antimonene, an exfoliatable 2D material with structural stability, exhibits mobile cross-sheet its unique features. The advent vertically permeable...
Rapid improvements in the power conversion efficiency of perovskite solar cells (PSCs), to as high 25.5%, have aroused great interest perovskite-based systems. Nevertheless, for achieving highly efficient photovoltaic performance, a persistent challenge lies carrier extraction at interface between and electron transport layers, which requires that material (ETM) should possess mobility small energy level offset with perovskite. Herein, we find pentadiamond, new carbon phase, is ETM could...
Ferroelasticity is a phenomenon in which material exhibits two or more equally stable orientation variants and can be switched from one form to another under an applied stress. Recent works have demonstrated that two-dimensional layered organic–inorganic hybrid Ruddlesden–Popper perovskites serve as ideal platforms for realizing ferroelasticity, however, the ferroelastic (FE) behavior of structures with single octahedra layer such (BA)2PbI4 [BA = CH3(CH2)3NH3+] has remained elusive. Herein,...
Organic$-$inorganic hybrid Ruddlesden$-$Popper perovskites (HRPPs) have gained much attention for optoelectronic applications due to their high moisture resistance, good processibility under ambient conditions, and long functional lifetimes. Recent success in isolating molecularly thin perovskite nanosheets intriguing edge phenomena raised the need understanding role of edges properties that dictate fundamental behaviours. In this work, we perform a prototypical study on effects ultrathin by...
2D-layered tin (II) oxide (SnO) has recently emerged as a promising bipolar channel material for thin-film transistors and complementary metal-oxide-semiconductor devices. In this work, we present first-principles investigation of the mechanical properties ultrathin SnO, well electronic implications tensile strain ($\epsilon$) under both uniaxial biaxial conditions. Bulk-to-monolayer transition is found to significantly lower Young's shear moduli highlighting importance interlayer Sn-Sn...
The excited-state intramolecular proton transfer (ESIPT) effect has attracted considerable attention due to its potential applications in photoluminescent materials. However, only a few theoretical reports have investigated the ESIPT process involving sulfur-hydrogen bonds. Herein, we systematically of three 3-thiolflavone derivatives containing bonds with M06-2X functional combined Def2-TZVP basis set. were confirmed ground and excited states via analyzing bond lengths, interaction...
The low formation energy of atomic vacancies in black phosphorus allows it to serve as an ideal prototypical system for exploring the dynamics interlayer interstitial-vacancy (I-V) pairs (i.e., Frenkel defects) which account Wigner release. Based on a few-layer model phosphorus, we conduct discrete geometry analysis and investigate structural intimate from first-principles calculations. We reveal highly metastable I-V pair state driven by anisotropic dipolelike strain fields can build strong...
Fe-Based bulk metallic glasses with a composition of Fe<sub>48</sub>Cr<sub>15</sub>Mo<sub>14</sub>C<sub>15</sub>B<sub>6</sub>Y<sub>2</sub> can exhibit better catalytic capacity than the pristine Fe surface.
Antimonene has attracted much attention for its high carrier mobility and suitable band gap electronic, optoelectronic, even spintronic devices. To tailor properties such applications, strain engineering may be adopted. However, 2D crystals prefer to exist in the rippled form due instability of long-range orders, rippling been shown have a contrasting, significant impact on electronic various materials, which complicates tuning process. Hence, effects antimonene under are herein investigated...
Low activation barriers and high rate constants are obtained in both deactivation processes featuring DTP derivatives as highly efficient photo-redox catalysts.