1. Electrocatalytic Reduction – Single-Atom Catalysts:

To address the adsorption-energy limitations and kinetic bottlenecks encountered by Fe- and Mo-based single-atom catalysts in CO₂ 

electroreduction, N₂ reduction, and H₂O₂ reduction, this study proposes an innovative strategy based on constructing asymmetric Fe–S 

coordination environments and Mo–N₃ sites. Leveraging the dynamic electronic regulation of sulfur to induce a self-relaxation effect, the

 designed catalysts promote concerted proton–electron transfer pathways. Through atomically precise coordination engineering, we 

achieve highly efficient and stable catalytic conversion across multiple electroreduction reactions.

2. Electrocatalytic Oxygen Reduction – Pd-Based Metallene Materials:

To overcome the sluggish ORR kinetics in anion-exchange-membrane fuel cells (AEMFCs), we introduce a new mechanism in which hydrogen 

atoms lower the formation enthalpy of key intermediates, together with a “p-block atom/interstitial-H co-confinement” strategy. This 

dual regulation effectively activates the O–O dissociation pathway on Pd metallenes, breaks traditional scaling relationships that limit the 

rate-determining step, and markedly enhances both catalytic kinetics and structural stability. The insights obtained offer valuable guidance 

for the rational design of high-performance ORR electrocatalysts.

3. Electrocatalytic HER in Alkaline Media – Ru-Based Catalysts:

AEM water electrolysis is emerging as a highly promising technology due to its low cost, ability to operate at ampere-level current densities, 

and freedom from acid-corrosion constraints. Improving HER rates at the cathode is therefore essential. By supporting Ru on tailored substrates,

 this work overcomes the intrinsic kinetic advantage that HER exhibits in acidic media, thereby advancing the development of efficient alkaline 

HER catalysts.

4. Electrocatalytic OER in Acidic Media – Ru-Based Metallenes:

Ru-based catalysts for acidic OER suffer from limited stability owing to lattice-oxygen participation during oxidation. Here, we present a solution 

through the precise design of core–shell metallenes, enabling— for the first time—switchable acidic OER pathways within an atomically thin 

RuO₂ shell. This approach resolves the activity-loss issues commonly seen in doped systems and establishes a clear experimental and 

theoretical framework linking catalyst structure, reaction mechanism, and performance.

5. Photocatalytic Hydrogen Evolution – TiO₂-Based Materials:

To address the wide bandgap and short carrier lifetime of TiO₂-based photocatalysts, we propose a hydrogen-atom–mediated 

defect-engineering strategy. A wet-chemical synthesis route for H-TiO₂ is developed, enabling controlled defect transformation. 

Building on this platform, we construct a series of H-TiO₂-based isotype heterojunctions and dual S-scheme architectures, achieving 

continuous breakthroughs in photocatalytic water-splitting H₂ evolution performance.

6. Photocatalytic H₂O₂ Production – Zn–In–S–Based Materials:

ZnIn₂S₄ photocatalysts for H₂O₂ generation typically suffer from rapid charge recombination and limited light-harvesting capability.

 We tackle these challenges by coupling ZnIn₂S₄ with MoO₃₋ₓ featuring localized surface plasmon resonance (LSPR). Through the synergistic 

effects of a type-II heterojunction and hot-electron injection, an apparent quantum yield of 0.5% at 940 nm is achieved, significantly extending 

the potential of ZnIn₂S₄ systems for near-infrared light utilization and practical H₂O₂ production.