ISIS Neutron and Muon Source Data Journal

INS Study of Nitrogen Configurations in Biochar Derived N-doped Carbon Dots for Electrocatalysis Applications

Abstract: Green hydrogen, produced via water splitting, is a promising clean energy carrier due to its high energy density and zero emissions. However, the efficiency of this process is limited by the high energy input required, underscoring the need for advanced electrocatalysts. In this study, we investigate biochar (BCR) and its transformation into N-doped carbon dots (N-BCR-CDs) as low-cost, effective materials for hydrogen evolution. Our previous study confirm that BCR enhanced hydrogen production. Structural analysis using SESANS and SAXS revealed that extended milling reduces particle and pore sizes and refines surface morphology without altering functional groups, as confirmed by INS spectra. Further functionalisation to N-BCR-CDs was undertaken to optimise nitrogen doping configurations. Comparative analysis of experimental inelastic neutron scattering (INS) data and density functional theory (DFT) calculations enabled identification of key vibrational modes associated with pyridinic- and pyrrolic-N, particularly a distinct C-N bond vibration at 984 cm. These findings are expected to provide atomic-level insight into the role of nitrogen configurations in enhancing electrocatalytic performance. This integrated approach supports the rational design of scalable, biochar-based catalysts for efficient and sustainable hydrogen production.

Principal Investigator: Dr Dicky Annas
Experimenter: Ms Firda Amalia
Local Contact: Dr Jeff Armstrong
Experimenter: Dr Fitri Aulia Permatasari
Experimenter: Dr Indri Badria Adilina
Experimenter: Dr Riski Agung Nata Utama
Experimenter: Dr Hamish Cavaye
Experimenter: Professor Stewart Parker
Experimenter: Professor Ferry Iskandar

DOI: 10.5286/ISIS.E.RB2610120

ISIS Experiment Number: RB2610120

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Dicky Annas et al; (2026): INS Study of Nitrogen Configurations in Biochar Derived N-doped Carbon Dots for Electrocatalysis Applications, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2610120

Data is released under the CC-BY-4.0 license.