CatApp

Official Resources

• Homepage: http://suncat.stanford.edu/catapp/
• Documentation: Minimal
• Source Repository: Web-based tool
• License: Free to use

Overview

CatApp is a web-based application (and mobile app) providing a database of DFT-calculated reaction energies and activation barriers for surface reactions relevant to heterogeneous catalysis. It allows users to quickly look up activation energies for elementary steps on various metal surfaces.

Scientific domain: Catalysis, surface science database
Target user community: Catalysis researchers

Capabilities (CRITICAL)

• Database: Activation energies and reaction energies for C, N, O, H species on transition metals.
• Visualization: Reaction path diagrams.
• Interface: Simple drop-down menu selection.

Sources: CatApp website, Angew. Chem. Int. Ed. 50, 10102 (2011)

Inputs & Outputs

• Input formats: Web selection (Reactants, Products, Surface)
• Output data types: Energy values (eV)

Interfaces & Ecosystem

• SUNCAT: Part of the SUNCAT ecosystem.

Workflow and Usage

1. Select surface (e.g., Pt(111)).
2. Select reaction (e.g., CO + O -> CO2).
3. Read activation energy.

Performance Characteristics

• Instant lookup.

Application Areas

• Quick estimation of barriers.
• Educational use.

Community and Support

• Developed by SUNCAT (Stanford/SLAC).

Verification & Sources

Primary sources:

1. Homepage: http://suncat.stanford.edu/catapp/
2. Publication: F. Abild-Pedersen et al., Angew. Chem. Int. Ed. 50, 10102 (2011)

Confidence: VERIFIED

Verification status: ✅ VERIFIED

• Website: ACTIVE
• Documentation: MINIMAL (Self-explanatory)
• Source: WEB APP
• Development: STABLE
• Applications: Catalysis database