Atomistic Blueprinting of Electrochemical CO Reduction Reaction Pathways over Transition Metal Phosphides
M. Awais and Y. Abghoui · Molecules 31(8), 1334
DOI: 10.3390/molecules31081334 ↗NEXSURF develops advanced catalyst systems for the electrochemical conversion of CO₂ and CO, targeting CO and formate as initial products — expanding toward methane, ethanol, and other fuels and chemicals as the platform matures — using renewable electricity.
NEXSURF does not develop carbon-capture technology. We develop catalyst technologies for the next stage: converting a supplied CO₂ or CO stream into useful fuels and chemicals.
Minimum net greenhouse-gas reduction by 2030 compared with 1990.
The European Union's legally binding climate-neutrality target.
Required share of synthetic aviation fuels at EU airports from 2030.
These policies create demand for technologies that can use renewable energy and supplied CO₂ as inputs for lower-carbon fuels and chemicals.
NEXSURF develops, validates, and protects catalyst IP that can help industrial partners convert supplied CO₂ and CO into fuels and chemicals using renewable electricity.
CO₂ is the main driver of climate change and emissions are still setting records. Carbon capture is expanding, but capture alone does not create useful products. Converting CO₂ into useful fuels and chemicals at scale remains a critical bottleneck — held back by energy demand, product selectivity, and catalyst stability.
Data: UC Davis / Global Carbon Budget 2025 · Berkeley Earth
CO₂ is thermodynamically stable and fully oxidized, so converting it into reduced products requires energy. Catalysts can reduce kinetic losses and improve selectivity, while overall economics also depend on electricity, reactor performance, separation, and scale.
Source: U.S. Department of Energy →Catalysts must steer CO₂ toward a target product, such as ethanol or formic acid, rather than wasting energy on a mixture of side products.
Many catalysts restructure, deactivate, or lose selectivity during operation. Long-duration testing is therefore essential before an industrial process can rely on them.
The next step is not only to capture CO₂, but to transform it. Renewable electricity, advanced materials, and computational discovery make it possible to design potentially lower-carbon routes from captured carbon to useful products. The net climate benefit depends on the CO₂ source, energy supply, product lifetime, and displaced conventional process.
Clean power can drive electrochemical conversion instead of fossil-based chemical routes.
New catalyst families can reduce electrochemical overpotential and improve selectivity toward useful products.
Captured carbon can become a feedstock for real products — syngas, formic acid, methane, ethanol — instead of a waste stream.
Three major development routes are thermochemical, electrochemical, and biological conversion. Each provides a different energy source and reaction environment.
Heat, pressure, and usually hydrogen convert CO₂ into products such as methanol or synthetic fuels.
Electricity drives CO₂ reduction at a catalyst-coated electrode, potentially linking conversion directly to renewable power.
Algae or non-photosynthetic microorganisms use CO₂ as a carbon source to produce biomass, fuels, or chemicals.
Gold and silver are established reference catalysts for selectively converting CO₂ to carbon monoxide.
Copper is the best-established elemental catalyst for products with two or more carbon atoms, including ethylene and ethanol.
Non-precious metals broaden the search beyond precious-metal catalysts.
Develop three proprietary catalyst families—transition-metal carbides, carbonitrides, and phosphides—for electrochemical conversion using renewable electricity.
Prioritize CO and formate as initial targets; expand toward methane, ethanol, and other higher-value fuels and chemicals as validation and partner needs progress.
Build partner-ready evidence demonstrating selectivity, stability, product formation, and application-relevant performance.
Transfer validated catalyst IP and know-how to industrial partners rather than building production infrastructure in-house.
Screening counts are internal project metrics. Predicted performance remains to be confirmed through application-relevant experiments.
Our three-stage pipeline moves from computational screening to lab-scale synthesis and electrochemical testing and, when performance is verified, toward technology transfer and industrial collaboration.
DFT calculations, machine learning, and materials expertise identify promising surfaces and narrow the candidate space before experimental validation.
Priority candidates move into lab-scale synthesis and electrochemical testing, including performance benchmarking, stability screening, product identification, and selectivity analysis where experimental capacity is available.
Validated catalyst know-how, IP strategy, and performance data can be packaged for industrial collaboration, licensing, or joint development with partners.
An illustrative view of electrochemical testing: CO₂ enters the cathode chamber, reacts at a catalyst-coated electrode, and forms products that are measured for selectivity, activity, and stability.
Conceptual animation only. It illustrates the planned laboratory workflow and does not display live experimental measurements or proprietary performance data.
NEXSURF reduces development risk through computational screening, published evidence, filed intellectual property, and a licensing-first business model.
DFT, machine learning, and Artificial Intelligence screen hundreds of candidate surfaces before lab validation, so experiments can focus on shortlisted materials. Predicted performance is treated as a hypothesis until it is tested experimentally.
Three priority applications were filed in 2024, and the corresponding international (PCT) applications were published in 2026. National-phase decisions are expected from 2027 onward.
View the official technology-transfer record →| Development track | Target CO₂ products | Evidence | Status |
|---|---|---|---|
| Computational screening track | CO, formate | Multi-facet DFT datasets; machine-learning screening | Internal count: 500+ surfaces screened; candidates shortlisted for electrochemical testing |
| Mechanism mapping track | Methane, CO | CO₂-to-CO and methane pathways; CO₂-to-methane pathways | DFT pathways published; screening ongoing; experimental validation pending |
Published studies and DOIs are public. Unpublished compositions, non-public datasets, and partner-specific validation details are shared under NDA.
Core experimental validation and benchmarking. Proof-of-concept system design. IP protection through strategic patent filings. Outreach to research and industrial partners.
Demonstrate performance under application-relevant conditions — proof of concept. Expand external testing and strengthen strategic partnerships. Outreach to deep tech investors.
Transition from laboratory validation toward pilot-scale readiness. Secure funding and industrial support for pilot-scale activities.
Scale deployment through strategic pilot partnerships and licensing models. Support industrial integration and joint development initiatives across target markets.
NEXSURF ehf. is an Icelandic pre-revenue R&D company developing proprietary catalyst technologies for electrochemical carbon conversion. The company combines computational screening, targeted validation, and IP development in one partner-focused platform.
Our initial commercial path is through catalyst IP generation, validation, and technology transfer to industrial partners who are building infrastructure for potentially lower-carbon fuel and chemical production.
Leads NEXSURF's scientific strategy across catalyst design, CO₂ and CO conversion, experimental-validation priorities, intellectual property, and industry-facing development.
Develops DFT screening of transition-metal catalyst surfaces, maps CO₂ and CO reduction pathways, and prioritizes candidates for lab-scale validation.
Develops causal and graph machine-learning workflows for dopant selection, candidate ranking, and data-guided catalyst discovery.
Models CO₂ activation and CO reduction at the atomic scale, evaluates product pathways across catalyst surfaces, and expands the platform toward C₁ and C₂ products.
Peer-reviewed articles and conference work by NEXSURF team members directly related to electrochemical CO₂ or CO conversion, grouped by publication year.
M. Awais and Y. Abghoui · Molecules 31(8), 1334
DOI: 10.3390/molecules31081334 ↗M. Awais, M. Ahmad ul Haq and Y. Abghoui · Electrochimica Acta 556, 148266
DOI: 10.1016/j.electacta.2026.148266 ↗M. Awais, M. S. S. Eggertsson and Y. Abghoui · Journal of CO₂ Utilization 111, 103517
DOI: 10.1016/j.jcou.2026.103517 ↗M. Awais and Y. Abghoui · Electrochimica Acta 550, 148054
DOI: 10.1016/j.electacta.2025.148054 ↗M. Awais and Y. Abghoui · ACS Applied Energy Materials 9(6), 3545–3555
DOI: 10.1021/acsaem.6c00309 ↗N. Ashraf and Y. Abghoui · Fuel 407, 137382
DOI: 10.1016/j.fuel.2025.137382 ↗M. Khaniha, A. Saki, U. Faghihi, R. Unnthorsson and Y. Abghoui · ACDSA 2026
DOI: 10.1109/ACDSA67686.2026.11467594 ↗N. Ashraf, D. B. Betolaza, H. I. Gunnarsson, M. I. Khatibi, A. Iqbal and Y. Abghoui · Electrochimica Acta 517, 145755
DOI: 10.1016/j.electacta.2025.145755 ↗N. Ashraf and Y. Abghoui · International Journal of Hydrogen Energy 136, 383–391
DOI: 10.1016/j.ijhydene.2025.05.044 ↗N. Ashraf and Y. Abghoui · Surfaces and Interfaces 70, 106793
DOI: 10.1016/j.surfin.2025.106793 ↗N. Ashraf and Y. Abghoui · Electrochimica Acta 525, 146069
DOI: 10.1016/j.electacta.2025.146069 ↗N. Ashraf and Y. Abghoui · Molecules 30(17), 3637
DOI: 10.3390/molecules30173637 ↗M. Awais, N. Ashraf and Y. Abghoui · Journal of Environmental Chemical Engineering 13(3), 116621
DOI: 10.1016/j.jece.2025.116621 ↗M. Awais and Y. Abghoui · Materials Today Energy 53, 101970
DOI: 10.1016/j.mtener.2025.101970 ↗M. Awais, N. Ashraf and Y. Abghoui · Applied Surface Science 710, 163815
DOI: 10.1016/j.apsusc.2025.163815 ↗M. Awais and Y. Abghoui · Electrochimica Acta 541, 147216
DOI: 10.1016/j.electacta.2025.147216 ↗N. Ashraf, A. Iqbal and Y. Abghoui · Journal of Materials Chemistry A 12(44), 30340–30350
DOI: 10.1039/D4TA05592F ↗E. Tayyebi, J. Hussain, Y. Abghoui and E. Skúlason · Journal of Physical Chemistry C 122(18), 10078–10087
DOI: 10.1021/acs.jpcc.8b02224 ↗Publication details were checked against University of Iceland research records and linked to the publisher DOI. The list is limited to work directly related to CO₂ or CO reduction.
General claims on this page use U.S. government science and U.S.-based scientific institutions. NEXSURF-specific claims retain their original primary records.
NEXSURF-specific publications and public patent records are linked where their claims appear. Confidentiality applies only to unpublished material and non-public development data.
NEXSURF is entering its validation phase. We are looking for capital, infrastructure, and industrial partners to move shortlisted candidates from laboratory validation toward licensing.
Deep-tech pre-seed / seed funding to finance experimental validation, proof-of-concept system design, national-phase entries from 2027, and non-dilutive innovation grants.
Talk to us about investing →CO₂ suppliers, capture operators, e-fuel companies, and chemical producers for joint development: testing our catalysts under application conditions and shaping early licensing agreements around real industrial needs.
Become a development partner →Electrochemical testing capacity, characterization infrastructure, and academic collaborations to accelerate benchmarking of shortlisted catalyst candidates.
Collaborate on validation →We welcome conversations with industrial partners, investors, research collaborators, and institutions interested in carbon utilization technology.