Our center’s recent research publications can be categorized into three cutting-edge pillars:

Pillar A: Advanced Semiconductor Materials & Device Physics

We focus on improving fabrication techniques, understanding structural stability, and engineering nanoscale phenomena in next-generation semiconductors.

• SiGe Epitaxial Growth: Successfully fabricated high-Ge-content Silicon-Germanium (SiGe) films on $SiO_2$/Silicon (111) patterned substrates utilizing epitaxial lateral overgrowth techniques.

• Ferroelectric Semiconductor FETs (FeSFETs): Resolved the on-off ratio discrepancy in bilayer 3R-$MoS_2$ FeSFETs by uncovering the dual mechanisms of domain wall engineering.

• Deep Learning for Borophene Energy Storage: Investigated the mechanisms of strength, thermal stability, and doping effects in metal-doped bilayer borophene for energy storage, using a DFT-trained deep-learning potential.

• Mechanical & Failure Analysis: Conducted deep learning molecular dynamics studies to map the anisotropic mechanical behavior and failure pathways of bilayer borophene.

• Planar Hall Effect: Demonstrated cascading planar Hall effect voltage arrays in ferromagnetic thin films for advanced magnetic sensing applications.

Pillar B: Advanced Optics & Nano-Photonics

We investigate the interaction of light and matter at the subwavelength scale, optimizing structural designs for information processing and signal clarity.

• Plasmonic Waveguides: Explored dispersive directional coupling effects in Au/dielectric/Au plasmonic waveguides integrated with subwavelength stub structures.

• Acoustic Signal Processing: Developed advanced wind noise reduction systems based on double masking and Permutation-Invariant Training (PIT).

Pillar C: Single/Dual-Atom Electrocatalysis for Green Energy

Leveraging DFT computations and machine learning, we design highly efficient catalyst surfaces to drive critical green chemical reactions.

• Nitrate & Nitrogen Reduction ($NO_3^-RR$ / NRR): * Established design principles of biphenylene-supported dual-atom catalysts for efficient and selective nitrate reduction to ammonia.

  • Gained mechanistic insights into efficient nitrogen reduction on Indium Nitride (InN)-supported transition-metal single-atom catalysts.

  • Uncovered electronic structure-activity relationships in transition-metal-doped porphyrinic MOFs for electrocatalytic nitrogen reduction.

• Carbon Dioxide Reduction ($CO_2$RR):

  • Rationally designed dual-atom catalysts for electrochemical $CO_2$ reduction to $C_1$ products using DFT and ML.

  • Evaluated electrocatalytic $CO_2$ reduction mechanisms on metal-doped fullerenes.

• Multi-functional Catalysis (HER, OER, ORR):

  • Evaluated multi-functional electrocatalysis on transition metal-doped biphenylene, screening single-atom catalysts for Hydrogen Evolution (HER), Oxygen Evolution (OER), and Oxygen Reduction Reactions (ORR).