Impact of metal and active site configurations in hydrogenation reactions with N-doped graphene single atom catalysts

A computational study of graphene SACs (Fe, Co, Mn, Ru) shows that the active-site configuration dictates hydrogenation: pyrrolic NHNH is the most preferred, except for Ru. NBO/NEDA rationalize trends, guiding design beyond metal choice.

Authors

David Donat Balcells
Ainara Nova (ORCID: https://orcid.org/0000-0003-3368-7702)
Aurore E. F. Denjean

Institutions

University of Oslo (NO)

Publication Details

Journal: Journal of Materials Chemistry A
Published: 2026-01-01
DOI: https://doi.org/10.1039/d5ta08094k
Primary Topic: Asymmetric Hydrogenation and Catalysis
Type: article
Field-Weighted Citation Impact: 0.00

Controls

|||

ALL TIME

JAN

FEB

MAR

APR

MAY

JUN

JUL

AUG

SEP

OCT

article

Impact of metal and active site configurations in hydrogenation reactions with N-doped graphene single atom catalysts

David Donat Balcells, Ainara Nova, Aurore E. F. Denjean

Jan 1, 2026

Journal of Materials Chemistry A

Asymmetric Hydrogenation and Catalysis

article

Impact of metal and active site configurations in hydrogenation reactions with N-doped graphene single atom catalysts

David Donat Balcells, Ainara Nova, Aurore E. F. Denjean

January 1, 2026article en

Abstract

Journal of Materials Chemistry AVol. 14(12)

University of Oslo (NO)

Openalex Percentile: Top 94%

Asymmetric Hydrogenation and Catalysis

DOI Open Access PDF OpenAlex

AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.

Impact of metal and active site configurations in hydrogenation reactions with N-doped graphene single atom catalysts — David Donat Balcells, Ainara Nova, et al. · Journal of Materials Chemistry A (2026) | TGRS Research Map | TGRS