Scientists have discovered the specificity of the activity of the catalyst reaction site, and it is expected to design a multi -phase catalyst

There is differences between any individual, as German mathematician Gottfried Wilhelm Leibniz said, “there are no two completely the same leaves in the world.”

Recently, in the field of multi -phase electric catalysts, the joint teams from Hunan University, Purdue University, and Leiden University in the Netherlands also have scientific discoveries similar to the above conclusions.

The researchers used the first principle to calculate the atomic level of the surface stress and surface strain of the single crystal of platinum (PT).They found that “there are no two actives in the world that exactly the same reaction site”, that is, the activity of surface stress -driven activity is specific.

The research team expanded the system 10 times that of the previous system, and calculated the surface stress and surface strain of the platinum platform surface of the countertop by 1-10nm.After comparison and observation, it is found that even small step -type defects can cause different surface stress.

As shown in the figure below, the active site distribution diagram is similar to a lava bridge from the visual effect.Specifically, there is often the highest activity site, and then the activity will slowly decrease.

Figure 丨 Atomic sites on the surface of stepped platinum (111) to resolve electronic structure, surface reaction, and electrochemical oxygen reduction reaction activity (Source: Nature)

They also found that compared with the central atom of the countertop, the oxidation and reduction activity around the steps around the steps was significantly higher.In addition, the latter’s activity can reach 50 times the former.As a result, researchers concluded that by changing the width of the surface or regulating the external stress, the ability to control the electrochemical oxygen reaction can affect the overall activity of the catalyst.

The reviewer evaluated the study: “The author focuses on the impact of the existence of the single atomic steps on the surface activity. Revealing and detailed explanation of these effects will help better define the approximation of the application of computing modeling.More accurate prediction ability is very important. “

At the same time, the reviewer believes: “The effect of exploring the driving -driven catalytic response rate is deep into the atomic scale, which is as ancient as the research in the catalytic field. Therefore, in this sense, the methods taken by the author are very valuable.”

Prior to this study, the discrete activity site model was widely used to predict catalytic activity for a long time.The problem of this model is a significant “error”, and the root cause is unknown.The study provided the answer for this.

In addition, this research also provides new ideas for design and application of multi -phase catalysts.Specifically, in the past cognition, the activity of catalysts is defined at a certain point or a certain type of atoms, and the study found that the catalyst activity is distributed in adjacent and large number of sites.

In order to better understand, Zeng Zhenhua, the author of the paper, and the scientist of Purdue University, said: “If the situ is analogy to flowers, in the past, we all thought that the activity of the catalyst existed in a certain flower. After this time, I experienced this time this time.Studies, we found that the original activity is in a cluster of flowers. “

He pointed out that this is a new scientific discovery in this field for decades, and it also provides “transformation” for the catalytic field.And, for the first time, the study was thoroughly researched from the most basic driving force level.

Figure 丨 Zeng Zhenhua (Source: Zeng Zhenhua)

Recently, the relevant papers are published in the topic of “Site-Specific Reaction of SITE Reactivity of Platinum Step Faces” (Site-Specific Relationivity “. Nature Upper [1].

Dr. Liu Guangdong University of Hunan University and Dr. Arthur J.Shih at Leiden University as a co -first author, Purdue University Research scientist Zeng Zhenhua and Jeffrey Greeley (Jeffrey Greeley) served as common communication.author.

Figure 丨 Related papers (Source: Nature)

After the paper was published, a scientist told Dr. Zeng Zhenhua that after the retirementStudy such a basic system and can also publish discovery in Nature superior.

Zeng Zhenhua also believes that the research “has no most basic, only more basic.”In fact, the study has been officially published from theoretical prediction to experiments to the paper, and has experienced a total of nearly 6 years.

Interestingly, in order to promote this study, Dr. Arthur J.Shih told himself to go to the Leaton University of the Netherlands to do a single crystal testEssenceHe worked with four other post -blog post -efforts to complete the electrochemical experiments required by the theoretical research.

Figure 丨 Platinum (111) The relationship between stress release and surface response (Source: Nature)

This research is published in 2019 Science The continuation of this strain research [2], the main research object is the specific strain of the atomic site.

Zeng Zhenhua believes that this is a continuous study.Following the past and the current solid “foundation”, in the future, it will continue to build it like building a building.

At present, Zeng Zhenhua is engaged in independent research at Purdue University. The research direction mainly includes fuel cells and electrolytic hydrogen.Not only does it maintain close cooperation with companies such as GM, 3M, Toyota and Honda, but some scientific research projects have also been supported by the US Department of Energy.

Next, he and the team will continue to explore in depth in stress and strain research. In addition to basic research on the single crystal system, they will also plan to promote the application of basic understanding in nanoparticles and nano -systems.

At present, Zeng Zhenhua’s team is recruiting young scholars and students, and those who are interested in joining can directly contact the email ([email protected]).

Reference materials:

1.liu, g., shih, a.j., deng, h. et al. SITE-SPECIFIC Reactivity of Stepped PT Surfaces Driven by Stress Release. Nature 626, 1005–1010 (2024). Https://doi.org/10.1038/s41586-024-07090-Z

2.Wang, L., ZENG, Z. Et Al. Tunable intrinsic Stration in Two-Dimensional Transition metal electrocatalysts. Science 363,6429 (2019). Https://www.science.org/doi/10.11126/science.aat8051