Biography

Dr Constantinos D. Zeinalipour-Yazdi is an assistant professor in chemistry at Northeastern University London since July 2023. He has an MA in chemistry from San Diego State University (2003) and a PhD in chemistry from the University of California, San Diego and SDSU JDP in 2006. He then held postdoctoral positions at the University of Cyprus, Cardiff University, University of Warwick, University College London, Research Complex at Harwell (2006-2018). He also held lecturer positions in physical, computational and materials chemistry at the University of Greenwich (2018-2020), University of East London (2020-2022), Middlesex University (2020-2021, 2023).

His research experience spans the area of investigating the reaction mechanism of important catalytic reactions using computational methods. He has made significant contribution in elucidating new mechanisms for the synthesis of ammonia and hydrazine on various metal nitrides and for the water gas shift (WGS) over metal nanoparticles. He uses molecular models in his teaching and describes molecular systems through computer simulations. His research in the use of molecular models is highlighted in the sphere-in-contact model which he has shown can be broadly used in chemistry education and research.

Research

Selected Publications

A study using physical sphere-in-contact models to investigate the structure of close-packed nanoparticles supported on flat hexagonal, square and trigonal lattices

CD Zeinalipour-Yazdi

Chemical Physics 588, 112464, 2025

A DFT assessment of the activation barrier for concerted proton transfer in cyclic water clusters (H2O) n where n= 3–8

N Elahi, CD Zeinalipour-Yazdi

Computational and Theoretical Chemistry 1244, 115061, 2024

Mechanism of ammonia synthesis on Fe3Mo3N

MD Higham, CD Zeinalipour-Yazdi, JSJ Hargreaves, CRA Catlow

Faraday Discussions 243, 77-96, 2023

On the formation enthalpies and bandgaps of linear, cyclic and cubic neutral sodium chloride clusters (NaCl) n, n= 2, 3, 4, 5, 6, 10

SC Jasinski, CD Zeinalipour-Yazdi

Materials Today Communications 31, 103733, 2022

Topology of active site geometries in HCP and FCC nanoparticles and surfaces

CD Zeinalipour-Yazdi

Chemical Physics 559, 111532, 2022

An experimental FTIR-ATR and computational study of H-bonding in ethanol/water mixtures

CD Zeinalipour-Yazdi, EZ Loizidou

Chemical Physics 550, 111295, 2021

Structural selectivity of supported Pd nanoparticles for catalytic NH₃ oxidation resolved using combined operando spectroscopy

Ellie K Dann, Emma K Gibson, Rachel H Blackmore, C Richard A Catlow, Paul Collier, Arunabhiram Chutia, Tugce Eralp Erden, Christopher Hardacre, Anna Kroner, Maarten Nachtegaal, Agnes Raj, Scott M Rogers, SF Rebecca Taylor, Paul Thompson, George F Tierney, Constantinos D Zeinalipour-Yazdi, Alexandre Goguet, Peter P Wells

Nature Catalysis 2 (2), 157-163, 2019

Mechanisms of ammonia and hydrazine synthesis on η-Mn3N2-(100) surfaces

CD Zeinalipour-Yazdi

Physical Chemistry Chemical Physics 21 (35), 19365-19377, 2019

Low-T Mechanisms of Ammonia Synthesis on Co₃Mo₃N

CD Zeinalipour-Yazdi, JSJ Hargreaves, CRA Catlow

The Journal of Physical Chemistry C 122 (11), 6078-6082, 2018

Study of the cap structure of (3, 3),(4, 4) and (5, 5)-SWCNTs: Application of the sphere-in-contact model

CD Zeinalipour-Yazdi, EZ Loizidou

Carbon 115, 819-827, 2017

CO adsorption over Pd nanoparticles: A general framework for IR simulations on nanoparticles

CD Zeinalipour-Yazdi, DJ Willock, L Thomas, K Wilson, AF Lee

Surface Science 646, 210-220, 2016

Impact of co-adsorbed oxygen on crotonaldehyde adsorption over gold nanoclusters: a computational study

CD Zeinalipour-Yazdi, DJ Willock, A Machado, K Wilson, AF Lee

Physical Chemistry Chemical Physics 16 (23), 11202-11210, 2014

Coverage-dependent adsorption energy of carbon monoxide on a rhodium nanocluster

CD Zeinalipour-Yazdi, RA van Santen

The Journal of Physical Chemistry C 116 (15), 8721-8730, 2012

Linear correlation between binding energy and Young’s modulus in graphene nanoribbons

CD Zeinalipour-Yazdi, C Christofides

Journal of Applied physics 106 (5), 2009

Quantitative Structure− Property Relationships for Longitudinal, Transverse, and Molecular Static Polarizabilities in Polyynes

CD Zeinalipour-Yazdi, DP Pullman

The Journal of Physical Chemistry B 113 (28), 9628-9628, 2009

Kinetic rates and linear free energy relationships for water dissociation on transition and noble metal dimers

CD Zeinalipour-Yazdi, RA van Santen

The Journal of Physical Chemistry A 113 (25), 6971-6978, 2009

Preadsorbed Water-Promoted Mechanism of the Water− Gas Shift Reaction

CD Zeinalipour-Yazdi, AM Efstathiou

The Journal of Physical Chemistry C 112 (48), 19030-19039, 2008

Finding the Proton in a Key Intermediate of anti-Markovnikov Alkyne Hydration by a Bifunctional Catalyst

Douglas B Grotjahn, Elijah J Kragulj, Constantinos D Zeinalipour-Yazdi, Valentin Miranda-Soto, Daniel A Lev, Andrew L Cooksy

Journal of the American Chemical Society 130 (33), 10860-10861, 2008

A new interpretation of the scanning tunneling microscope image of graphite

CD Zeinalipour-Yazdi, DP Pullman

Chemical Physics 348 (1-3), 233-236, 2008

CO adsorption on transition metal clusters: Trends from density functional theory

CD Zeinalipour-Yazdi, AL Cooksy, AM Efstathiou

Surface science 602 (10), 1858-1862, 2008

A diffuse reflectance infrared Fourier-transform spectra and density functional theory study of CO adsorption on Rh/γ-Al2O3

CD Zeinalipour-Yazdi, AL Cooksy, AM Efstathiou

The Journal of Physical Chemistry C 111 (37), 13872-13878, 2007

Correlation of polarizabilities with Van der Waals interactions in π-systems

CD Zeinalipour-Yazdi, DP Pullman

The Journal of Physical Chemistry B 110 (47), 24260-24265, 2006