Theoretical surface science and catalysis—calculations and concepts

By Bjørk Hammer, Jens K. Nørskov. 2000

2,163 citations recorded by the source corpus.

Subfields: Electrical and Electronic Engineering, Materials Chemistry, Mechanical Engineering

View Paper: https://www.semanticscholar.org/paper/b3d7ca47a04cadbd823a5fa52b198a1ba5c229e1

How researchers see this paper

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

In Electrical and Electronic Engineering

1. Jens K. Nørskov
2. J. Rossmeisl
3. Anubhav Jain
4. Thomas Bligaard
5. S. Zou
6. Wenshan Cai
7. Ye Wang
8. Anton Kokalj

In Materials Chemistry

1. Shyue Ping Ong
2. Chi Chen
3. Jens K. Nørskov
4. Anubhav Jain
5. J. Rossmeisl
6. Wenshan Cai
7. Ye Wang
8. S. Zou

In Mechanical Engineering

1. Wenshan Cai
2. Ye Wang
3. S. Zou
4. Anton Kokalj
5. Thomas Bligaard
6. Jens K. Nørskov
7. Chi Chen
8. Chris Wolverton

Citations in the corpus

• Recent advances and applications of deep learning methods in materials science (2021, background): “This approach extends the previous d-band theory [230], where only the d-band center, a scalar, was used to correlate with the adsorption energy on transition metals.”
• Simplistic correlations between molecular electronic properties and inhibition efficiencies: Do they really exist? (2020, background): “A molecule–surface chemical bond is usually described in terms of a molecule-to-surface donation and a surface-to-molecule back-donation of electron charge [47,48], with a corollary that the larger are the”
• VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code (2019, background): “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].”