Surface and Interface Control in Nanoparticle Catalysis
网页With the development of nanoscience, the ability to tune surface and interface of nanostructures has provided a versatile tool for the development and optimization of a heterogeneous catalyst. In this Review, we present the surface and interface control of nanoparticle catalysts in the context of oxygen reduction reaction (ORR), electrochemical ...
Catalyst Surface - an overview | ScienceDirect Topics
网页A commonly used method for determining the surface area of a solid catalyst is a Brunauer–Emmett–Teller (BET). Using the BET method, the total surface area of the catalyst can be determined, while in an actual catalytic system, only a specific portion of the surface energy exhibits activity, which is referred to as the active surface.
Imaging the dynamics of catalysed surface reactions by in situ …
网页2019年12月16日 · Real-time imaging under different pressure and NO 2 /H 2 conditions proves that the surface dynamics are very sensitive to the reaction conditions and provide a first hint on the relationships ...
Understanding Catalyst Surfaces during Catalysis through Near …
网页2019年6月4日 · The surface of the catalyst particle acts as an active chemical agent directly participating in a chemical reaction performed at a solid–gas or solid–liquid interface. Thus, authentic surface chemistry and the structure of a catalyst particle during catalysis are key descriptors for understanding catalytic performance of this catalyst ...
Catalysis-Hub.org, an open electronic structure database for surface ...
网页2019年5月28日 · Electronic structure methods based on density functional theory (DFT) hold the promise to enable a deeper understanding of reaction mechanisms and reactivity trends for surface catalyzed chemical...
The role of steps in surface catalysis and reaction oscillations
网页2010年7月11日 · Atomic steps at the surface of a catalyst play an important role in heterogeneous catalysis, for example as special sites with increased catalytic activity.
Data‐Driven Machine Learning for Understanding Surface …
网页2022年12月12日 · The surface phase diagram of a catalyst system can be obtained via summarizing a series of surface structures and selecting the most stable. Surface phase diagrams are very important for heterogeneous catalyst research, as they can directly correlate first-principles computations with experimentally available conditions, such as in …
Finding optimal surface sites on heterogeneous catalysts by …
网页2015年10月9日 · A good heterogeneous catalyst for a given chemical reaction very often has only one specific type of surface site that is catalytically active. Widespread methodologies such as Sabatier-type activity plots determine optimal adsorption energies to maximize catalytic activity, but these are difficult to use as guidelines to …
Surface Science and Catalysis | Science - AAAS
网页The structure of the atomic surface, a strongly adsorbed overlayer, and the oxidation states of surface atoms are the important molecular features of an active catalyst. As a consequence of modern surface science, the design and preparation of catalysts has developed from an art into a high technology.
Toward Next-Generation Heterogeneous Catalysts: Empowering Surface …
网页2024年8月1日 · This review focuses on recent progress in applying ML in adsorption energy prediction, which predominantly quantifies the catalytic potential of a solid catalyst. ML models that leverage inputs from different categories and exhibit various levels of complexity are classified and discussed.