JR
Publications
- Predicting single-phase solid solutions in as-sputtered high entropy alloys: High-throughput screening with machine-learning model
- An Efficient Descriptor for Rapid Determination of Dipole Moments and Band Alignments of 2D Janus Transition‐Metal Dichalcogenides
- Effective Descriptor for Screening Single-Molecule Conductance Switches
- Theoretical Insights into the Adsorption of Rare-Earth-Containing Single-Molecule Magnets on Solid Surfaces
- Effective Screening Descriptor for MXenes to Enhance Sulfur Reduction in Lithium–Sulfur Batteries
- Alloying aluminum nitride with molybdenum could significantly enhance its electromechanical coupling constant
- Role of van der Waals interactions on the binding energies of 2D transition-metal dichalcogenides
- MnNi@NG: A Highly Promising Cathode for Accelerating Sulfur Redox Kinetics in Lithium–Sulfur Batteries
- High Room-Temperature Thermoelectric Performance of Honeycomb GaN Monolayer
- Electric Field Screening in Gate‐Tunable van der Waals 2D‐Metal/InSe Junctions
- Room-Temperature Thermoelectric Conversion by Dipole-Enhanced Rashba Spin-Orbit Coupling
- Reversible Control of Spintronic Properties of Ferromagnetic Metal/Organic Interfaces through Selective Molecular Switching
- Surface Strain-Induced Collective Switching of Ensembles of Molecules on Metal Surfaces
- Revisiting the anchoring behavior in lithium-sulfur batteries: many-body effect on the suppression of shuttle effect
- One molecule, two states: Single molecular switch on metallic electrodes
- Modeling chemical reactions on surfaces: The roles of chemical bonding and van der Waals interactions
- Lateral InSe p–n Junction Formed by Partial Doping for Use in Ultrathin Flexible Solar Cells
- Novel Superstructure-Phase Two-Dimensional Material 1T-VSe2 at High Pressure
- Deep Molecular Orbital Driven High-Temperature Hydrogen Tautomerization Switching
- Hydrogen-Location-Sensitive Modulation of the Redox Reactivity for Oxygen-Deficient TiO2
- Periodicity-dependent long range coulomb on-site repulsion in hydrogen adsorbed graphene: A DFT+U study
- van der Waals Stacking Induced Transition from Schottky to Ohmic Contacts: 2D Metals on Multilayer InSe
- Switchable Schottky Contacts: Simultaneously Enhanced Output Current and Reduced Leakage Current
- Ultrahigh Conductivity in Two-Dimensional InSe via Remote Doping at Room Temperature
- Facet-Controlling Agents Free Synthesis of Hematite Crystals with High-Index Planes: Excellent Photodegradation Performance and Mechanism Insight
- Rational Design of Halide Double Perovskites for Optoelectronic Applications
- Origin of unexpected large Seebeck effect in SrTiO3: nonperturbative polaron study from ab initio cumulant expansion
- Strong electron–phonon interaction and colossal magnetoresistance in EuTiO3
- Enhanced stability and induced magnetic moments of silicene by substitutional doping of nickel
- Design of a CO Oxidation Catalyst Based on Two-Dimensional MnO2
- Strain Controlled Ferromagnetic-Antiferromagnetic Transformation in Mn-Doped Silicene for Information Transformation Devices
- Phonon-driven electron scattering and magnetothermoelectric effect in two-dimensional tin selenide
- Bipolar magnetic semiconductors among intermediate states during the conversion from Sc2C(OH)2to Sc2CO2MXene
- Self-doping and magnetic ordering induced by extended line defects in graphene
- Enhancement of spin polarization induced by Coulomb on-site repulsion between localized pz electrons in graphene embedded with line defects
- Symmetry-dependent band gap opening in graphene induced by g-C3N4 substrates
- Strong slip-induced anomalous enhancement and red-shifts in wide-range optical absorption of graphite under uniaxial pressure
- Atomic nitrogen chemisorption on graphene with extended line defects
- High Entropy Materials
- Electronic descriptors for designing high-entropy alloy electrocatalysts by leveraging local chemical environments