Fundamental Concepts in Heterogeneous Catalysis

By Jens K. Nørskov, Felix Studt, F. Abild-Pedersen, Thomas Bligaard. 2014

537 citations recorded by the source corpus.

Subfields: Catalysis, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/00fa0fd88482d0c3fcd2cde681c74897eccb841b

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Catalysis

1. Jens K. Nørskov
2. Thomas Bligaard
3. Vei Wang
4. Gang Tang
5. Wen-Tong Geng
6. N. Xu
7. Jin Cheng Liu
8. Jeff Greeley

In Materials Chemistry

1. Jens K. Nørskov
2. Thomas Bligaard
3. I. Stephens
4. Vei Wang
5. Gang Tang
6. Wen-Tong Geng
7. N. Xu
8. Jin Cheng Liu

Citations in the corpus

• A foundation model for atomistic materials chemistry. (2023, unknown): “It provides atomistic insight into the underlying reaction mechanisms and enables the prediction of the properties of new catalytic materials, ( 63 ) including reaction barriers and rates, in turn used to predict turnover frequencies ( 64 ).”
• VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code (2019, methodology): “A stronger upward shift indicates the possibility of the formation of a larger number of empty anti-bonding states, leading to a stronger binding energy [90, 91, 89].”
• CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends (2015, background): “The case of adsorbates is less well defined, and it is often necessary to resort to a relatively crude approximation such as neglecting entropy and integrated heat capacity [43].”
• Progress and Perspectives in Photo‐ and Electrochemical‐Oxidation of Biomass for Sustainable Chemicals and Hydrogen Production (2021, methodology): “[91] Figure 6E presents the adsorption energy of CO on different mono- and bimetallic catalyst surfaces, in which it is clearly a scaling linear trend between the adsorption energy and the d-band center, same for atomic H and O.[92] These scaling relations are sometime used to predict the ideal cat”
• Metal‐Dependent Support Effects of Oxyhydride‐Supported Ru, Fe, Co Catalysts for Ammonia Synthesis (2018, background): “KGaA, Weinheim 1801772 (2 of 9) synthesis,[14] but we observed a continuous NH3 formation on BaTiO2.”