Zhengyang Gao
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View article: Universal Catalyst Design Framework for Electrochemical Hydrogen Peroxide Synthesis Facilitated by Local Atomic Environment Descriptors
Universal Catalyst Design Framework for Electrochemical Hydrogen Peroxide Synthesis Facilitated by Local Atomic Environment Descriptors Open
A universal design framework for high‐performance catalysts remains challenging due to diverse structures and active sites. We developed a framework integrating weighted atom‐centered symmetry function (wACSF) descriptors with machine lear…
View article: Universal Catalyst Design Framework for Electrochemical Hydrogen Peroxide Synthesis Facilitated by Local Atomic Environment Descriptors
Universal Catalyst Design Framework for Electrochemical Hydrogen Peroxide Synthesis Facilitated by Local Atomic Environment Descriptors Open
A universal design framework for high‐performance catalysts remains challenging due to diverse structures and active sites. We developed a framework integrating weighted atom‐centered symmetry function (wACSF) descriptors with machine lear…
View article: Computational Single-Atom Catalyst Database Empowers the Machine Learning Assisted Design of High-Performance Catalysts
Computational Single-Atom Catalyst Database Empowers the Machine Learning Assisted Design of High-Performance Catalysts Open
View article: High selectivity of H <sub>2</sub>O <sub>2</sub> activation to ·O <sub>2</sub> <sup>–</sup> for efficient NO oxidation over Co single-atom catalyst
High selectivity of H <sub>2</sub>O <sub>2</sub> activation to ·O <sub>2</sub> <sup>–</sup> for efficient NO oxidation over Co single-atom catalyst Open
View article: Omnidirectional Brightness and Uv-Shielding Bifunctional Pigments Via Ceo2 Photonic Crystal Microbeads
Omnidirectional Brightness and Uv-Shielding Bifunctional Pigments Via Ceo2 Photonic Crystal Microbeads Open
View article: Volcano Map for H2o2 Activation in Water-Vapor Environment Over Single-Atom Catalysts
Volcano Map for H2o2 Activation in Water-Vapor Environment Over Single-Atom Catalysts Open
View article: FGYOLO: An Integrated Feature Enhancement Lightweight Unmanned Aerial Vehicle Forest Fire Detection Framework Based on YOLOv8n
FGYOLO: An Integrated Feature Enhancement Lightweight Unmanned Aerial Vehicle Forest Fire Detection Framework Based on YOLOv8n Open
To address the challenges of complex backgrounds and small, easily confused fire and smoke targets in Unmanned Aerial Vehicle (UAV)-based forest fire detection, we propose an improved forest smoke and fire detection algorithm based on YOLO…
View article: Nonlocal chiral contributions to generalized parton distributions of the proton at nonzero skewness
Nonlocal chiral contributions to generalized parton distributions of the proton at nonzero skewness Open
We compute the one-loop contributions to spin-averaged generalized parton distributions (GPDs) in the proton from pseudoscalar mesons with intermediate octet and decuplet baryon states at nonzero skewness. Our framework is based on nonloca…
View article: Picturing the Gap Between the Performance and US-DOE's Hydrogen Storage Target: A Data-Driven Model for MgH2 Dehydrogenation
Picturing the Gap Between the Performance and US-DOE's Hydrogen Storage Target: A Data-Driven Model for MgH2 Dehydrogenation Open
Developing solid-state hydrogen storage materials is as pressing as ever, which requires a comprehensive understanding of the dehydrogenation chemistry of a solid-state hydride. Transition state search and kinetics calculations are essenti…
View article: H-Mg Bond Weakening Mechanism of Graphene-Based Single-Atom Catalysts on MgH2(110) Surface
H-Mg Bond Weakening Mechanism of Graphene-Based Single-Atom Catalysts on MgH2(110) Surface Open
Solid-state hydrogen storage is gradually becoming an effective way for the large-scale storage and transportation of hydrogen energy. Magnesium hydride (MgH 2 ) has become a promising candidate among solid-state hydrogen storage materials…
View article: Electrical Impedance Tomography of Industrial Two-Phase Flow Based on Radial Basis Function Neural Network Optimized by the Artificial Bee Colony Algorithm
Electrical Impedance Tomography of Industrial Two-Phase Flow Based on Radial Basis Function Neural Network Optimized by the Artificial Bee Colony Algorithm Open
In electrical impedance tomography (EIT) detection of industrial two-phase flows, the Gauss-Newton algorithm is often used for imaging. In complex cases with multiple bubbles, this method has poor imaging accuracy. To address this issue, a…
View article: Surface states of dual-atom catalysts should be considered for analysis of electrocatalytic activity
Surface states of dual-atom catalysts should be considered for analysis of electrocatalytic activity Open
View article: The Surface State: A Tricky Part of Dual-Atom Electrocatalysts
The Surface State: A Tricky Part of Dual-Atom Electrocatalysts Open
Experimentally well-characterized dual-atom catalysts (DACs), where two adjacent metal-atoms are stably anchored on carbon defects, are recently a hot topic in the catalyst community. DACs have shown some clear advantages in electrocatalys…
View article: Research on Vibrational Characteristics of Joined Spherical-Cylindrical-Conical Shells with Multiple Annular Plates
Research on Vibrational Characteristics of Joined Spherical-Cylindrical-Conical Shells with Multiple Annular Plates Open
View article: Design of Single-Atom Catalysts for Hg0 Oxidation Using H2o2
Design of Single-Atom Catalysts for Hg0 Oxidation Using H2o2 Open
View article: The NO Oxidation Activity of Single-Atom Catalysts
The NO Oxidation Activity of Single-Atom Catalysts Open
View article: A First-Principles Study on Titanium-Decorated Adsorbent for Hydrogen Storage
A First-Principles Study on Titanium-Decorated Adsorbent for Hydrogen Storage Open
Based on density functional theory calculation, we screened suitable Ti-decorated carbon-based hydrogen adsorbent structures. The adsorption characteristics and adsorption mechanism of hydrogen molecules on the adsorbent were also discusse…
View article: A Novel Prediction Model of Bandgap in Organic-Inorganic Hybrid Perovskites Based on a Simple Cluster Model Database
A Novel Prediction Model of Bandgap in Organic-Inorganic Hybrid Perovskites Based on a Simple Cluster Model Database Open
View article: Geometric structures, electronic characteristics, stabilities, catalytic activities, and descriptors of graphene-based single-atom catalysts
Geometric structures, electronic characteristics, stabilities, catalytic activities, and descriptors of graphene-based single-atom catalysts Open
Single-atom catalysts (SACs) have been a research hotspot due to their high catalytic activity, selectivity, and atomic utilization rates. However, the theoretical research of SACs is relatively fragmented, which restricts further understa…
View article: Comparative analysis of carbon emissions quota calculation and allocation method for coal-fired power plant in China
Comparative analysis of carbon emissions quota calculation and allocation method for coal-fired power plant in China Open
With the rapid development of economic globalization and the improvement of people's living standards, and the impact of global warming gradually strengthened.The emissions and trading scheme of carbon dioxide has been widespread concern a…
View article: Study on Heat Exchange of convection heating surface of a Pressurized Oxygen Enriched Coal-fired Boiler
Study on Heat Exchange of convection heating surface of a Pressurized Oxygen Enriched Coal-fired Boiler Open
The technology of the oxygen enriched combustion is a very promising new power generation technology for cleaning coal.This paper takes a 300MW coal-fired boiler for study, calculates the properties of flue gas of the pulverized coal combu…