Area of research
Materials Chemistry · Electronic, Optical and Magnetic Materials
Research interest
Research interests include Electronic and Structural Properties of Oxides, Magnetic and transport properties of perovskites and related materials, ZnO doping and properties, and Advanced Photocatalysis Techniques.
First-Principles Design of Janus ABSe<sub>3</sub> Monolayers for NO-to-NH<sub>3</sub> Electrocatalysis.
Ultrasensitive room-temperature NO2 gas sensor based on graphene-modified Cu2O nanocomposites: A combined experimental and first-principles study
Are Mn-intercalated transition metal dichalcogenides helimagnetic?
First‐Principles Approach for Predicting Chiral Helimagnetism
Interfacial stability and strain-modulated electronic properties in LaAlO3/SrTiO3 (110) heterostructures: A first-principles study.
Tuning Electron–Phonon Coupling in Se-Doped Fe<sub>2</sub>O<sub>3</sub> for Efficient Photocatalysis: Experimental and First-Principles Calculations
Engineering Mn<sub>3</sub>Ga/GaAs interfaces: a first-principles study on energetic stability and magnetic anisotropy
First-Principles Study of Dominant Surface Terminations on BaSnO<sub>3</sub> (001) Surface: Implications for Precise Control of Semiconductor Thin Films
First-Principles Study of Strain Effects on the Perpendicular Magnetic Anisotropy of Fe/MgO Heterostructures
Heusler alloys: Past, properties, new alloys, and prospects
First-Principles Investigation of Size Effects on Cohesive Energies of Transition-Metal Nanoclusters
First-principles investigation of structural, electronic, and energetic properties of BaSnO3 (001) surfaces
High-throughput design of perpendicular magnetic anisotropy at quaternary Heusler and MgO interfaces
High-throughput screening of hybrid quaternary halide perovskites for optoelectronics
First-Principles Investigation of Size Effects on Cohesive Energies of Transition-Metal Nanoclusters.
First-Principles Investigation of Size Effects on Cohesive Energies of Transition-Metal Nanoparticles
Heusler alloys: Past, properties, new alloys, and prospects
Perovskite superlattices with efficient carrier dynamics
Perovskite superlattices with efficient carrier dynamics.
Nonreciprocal Transport in a Bilayer of MnBi<sub>2</sub>Te<sub>4</sub> and Pt
Nonreciprocal Transport in a Bilayer of MnBi<sub>2</sub>Te<sub>4</sub> and Pt.
Morphological Control of Nanoporous Copper Formed from Conversion Reaction Synthesis
High-Throughput Design of Interfacial Perpendicular Magnetic Anisotropy at Heusler/MgO Heterostructures.
Fractional-unit-cell-doped spinel/perovskite oxide interfaces with switchable carrier conduction
Interface Engineering at Sc<sub>2</sub>C MXene and Germanium Iodine Perovskite Interface: First-Principles Insights.
Elucidate interfacial disorder effects on the perpendicular magnetic anisotropy at Fe/MgO heterostructure from first-principles calculations.
Review of high-throughput computational design of Heusler alloys
Strain engineering and epitaxial stabilization of halide perovskites
A fabrication process for flexible single-crystal perovskite devices
Strain engineering and epitaxial stabilization of halide perovskites.