Thông tin nhà nghiên cứu KH&CN

Revealing the Unique Catalytic Landscape of Anti-MXene Borides for Nitrogen and Nitrate Reduction

Iridium Single-Atom-Ensembles Stabilized on Mn-Substituted Spinel Oxide for Durable Acidic Water Electrolysis

Synergetic Modulation of Electronic Properties of Cobalt Oxide via “Tb” Single Atom for Uphill Urea and Water Electrolysis

Data-Driven Design of High-Curie Temperature Full-Heusler Alloys for Spintronic Applications

Orbital-Engineered Anomalous Hall Conductivity in Stable Full Heusler Compounds: A Pathway to Optimized Spintronics

Unlocking electrocatalytic dynamics with anti-MXene borides monolayers for nitrate reduction

Ultratough and self-healable electromagnetic interference shielding materials with sandwiched silver nanowires in polyurethane composite films

Multilayered silver nanowires and graphene fluoride-based aramid nanofibers for excellent thermoconductive electromagnetic interference shielding materials with low-reflection

2D Anti-MXene Borides Monolayers: Unveiling a Promising New Family of Catalysts for the Nitrogen Reduction Reaction

Insight into Facile Ion Diffusion in Resistive Switching Medium toward Low Operating Voltage Memory

Advanced Dual-Atom Catalysts on Graphitic Carbon Nitride for Enhanced Hydrogen Evolution via Water Splitting

Effective Charge Separation in a Dual-Single-Atom Photocatalyst for Sacrificial Agent-Free H2 Evolution

Unleashing the power of boron enhancing nitrogen reduction reaction through defective ReS2 monolayers

Electron deficient boron-doped amorphous carbon nitride to uphill N2 photo-fixation through π back donation

Highly Efficient Van Der Waals Heterojunction on Graphdiyne toward the High-Performance Photodetector.

Constructing Rhenium complex supported on g-C3N4 for Efficient Visible-Light-Driven Photoreduction of CO2 to CO via a novel Z-scheme Heterojunction

Unveiling the Protonation Kinetics‐Dependent Selectivity in Nitrogen Electroreduction: Achieving 75.05% Selectivity.

A new mode of luminescence in lanthanide oxalates metal–organic frameworks

Reaction Probability and Kinetics of Water Splitting on the Penta-NiAs2 Monolayer from an Ab Initio Molecular Dynamics Investigation

Synthesis of a Selectively Nb-Doped WS2–MoS2 Lateral Heterostructure for a High-Detectivity PN Photodiode

Unveiling a Three Phase Mixed Heterojunction via Phase‐Selective Anchoring of Polymer for Efficient Photocatalysis

Amorphization of Metal Nanoparticles by 2D Twisted Polymer for Super Hydrogen Evolution Reaction

Moving Beyond Bimetallic-Alloy to Single-Atom Dimer Atomic-Interface for All-pH Hydrogen Evolution

Accelerating water reduction towards hydrogen generation via cluster size adjustment in Ru-incorporated carbon nitride

Revealing well-defined cluster-supported bi-atom catalysts for enhanced CO2 Electroreduction: A theoretical investigation

Activity−Selectivity Enhancement and Catalytic Trend of CO2 Electroreduction on Metallic Dimers Supported by N‑Doped Graphene: A Computational Study

Uncovering the Role of Countercations in Ligand Exchange of WSe2: Tuning the d-Band Center toward Improved Hydrogen Desorption

Revealing the Synergy of Cation and Anion Vacancies on Improving Overall Water Splitting Kinetics

Modulating Interfacial Charge-density of NiP2-FeP2 via Coupling with Metallic-Cu for Accelerating Alkaline Hydrogen Evolution

Boosting Electrocatalytic HER Activity of 3D Interconnected CoSP via Metal Doping: Active and Stable Electrocatalysts for pHUniversal Hydrogen Generation

Reaction Probability and Kinetics of Water Splitting on the Penta-NiAs2 Monolayer from an Ab Initio Molecular Dynamics Investigation

Synergistic Effects of Nitrogen Doping on MXene for Enhancement of Hydrogen Evolution Reaction

Phase-Selective Disordered Anatase/Ordered Rutile Interface System for Visible-Light-Driven, Metal-Free CO2 Reduction

Nanoparticle Linker‐Controlled Molecular Wire Devices Based on Double Molecular Monolayers

Hydrogen adsorption engineering by intramolecular proton transfer on 2D nanosheets

Anion–cation double substitution in transition metal dichalcogenide to accelerate water dissociation kinetic for electrocatalysis

Atomistic observation of the collision and migration of Li on MoSe 2 and WS 2 surfaces through ab initio molecular dynamics

The prospect of sensitizing organic dyes attached to the MoS2 surface: Physical insights from density functional theory investigations

Adjusting band gap and charge transfer of organometallic complex adsorbed on MoS2 monolayer using vertical electric-field: a first-principles investigation

A first-principles investigation of various gas (CO, H2O, NO, and O2) adsorptions on a WS2 monolayer: Stability and electronic properties

Naphthalene adsorptions on graphene using Cr/Cr2/Fe/Fe2 linkages: Stability and spin perspectives from first-principles calculations

Transition metal (Fe and Cr) adsorptions on buckled and planar silicene monolayers: A density functional theory investigation

Graphene-Cr-graphene intercalation nanostructures: Stability and magnetic properties from density functional theory investigations

Thiết kết vật liệu xúc tác điện hóa mới trên cơ sở vật liệu hai chiều (2D) ứng dụng trong các phản ứng khử N2/CO2/ORR bằng phương pháp phiếm hàm mật độ (DFT)

Nghiên cứu thiết kế cấu trúc spintronic dựa trên hợp chất full Heusler cho ứng dụng chế tạo bộ nhớ STT-RAM sử dụng phương pháp học máy

Xây dựng bề mặt thế năng ab initio cho hệ (H2O)n+ bằng phương pháp neural network

Tiếp cận quy trình chuyển pha của TiO2 từ anatase sang rutile dưới tác động của nhiệt độ dựa trên phương pháp tính toán lượng tử DFT