Led by:

Led by:

Welcome to our website!

Welcome to the Computational Catalysis and Energy Materials Website!

Prof. Max García-Melchor

Assist. Prof. Max García-Melchor

Welcome to the CCEM group!
Led by:
Assist. Prof.
Max García-Melchor

Reaction descriptors for the oxygen evolution reaction: Recent advances, challenges and opportunities

Craig, M. J.; García-Melchor, M. Curr. Opin. Electrochem. 2022. Accepted

Check out our latest paper published in Curr. Opin. Electrochem. !

Check out our latest paper published in Curr. Opin. Electrochem. !

Check out our latest paper published in Curr. Opin. Electrochem. !

Secondary Coordination Sphere Influences the Formation of Fe(III)-O or Fe(III)-OH in Nitrite Reduction: A Synthetic and Computational Study

Park, Y. J.; Peñas-DeFrutos, N. M.; Drummond, M. J.; Gordon, Z.; Kelly, O. R.; Garvey,I. J.; Gullett, K. L.; García-Melchor, M.; Fout, A. R.; Inorg. Chem. 2022, Accepted Manuscript.

Check out our latest paper collaboration published in Inorg. Chem.!

Check out our latest collaboration with the group of Prof. Fout in Inorg. Chem. !

Check out our latest collaboration with the group of Prof. Fout in Inorg. Chem.!

Tuning the local chemical environment of ZnSe quantum dots with dithiols towards photocatalytic CO2 reduction

Tuning the local chemical environment of ZnSe quantum dots with dithiols towards photocatalytic CO2 reduction

Tuning the local chemical environment of ZnSe quantum dots with dithiols towards photocatalytic CO2 reduction

Sahm, C.; Ciotti, A.; Mates-Torres, E.; Badiani, V. M.; Sokolowski, K.; Neri, G.; Cowan, A. J.; García-Melchor, M; Reisner, E.; Chem. Sci, 2022, Accepted Manuscript. (DOI: 10.1039/D2SC00890D)

Check out our latest paper published in Chemical Science !

Check out our latest paper published in Chemical Science !

Check out our latest paper published in Chemical Science!

Congratulations Max on being elected as a Fellow of Trinity College Dublin!
Congratulations Max on being elected as a Fellow of Trinity College Dublin!
Do you want to join our group?
We have 1 postdoc position available
Do you want to join our group?
We have 1 postdoc position available!

We are actively involved in the M.Sc. in Energy Science offered at​ Trinity College Dublin.

The CCEM Group is actively involved in the international taught M.Sc. in Energy Science offered at​ Trinity College Dublin.

We are actively involved in the international M.Sc. in Energy Science offered at​ Trinity College Dublin.

previous arrow
next arrow
Slider
 


   

Research Overview

 

Electrocatalysts for Sustainable Energy

One of the main driving forces in our group is the urgent need of finding low-cost materials to fill the gap between energy supply and demand with clean, reliable, and inexpensive energy. To achieve this major challenge in a reasonable amount of time, we employ advanced computational methods to understand electrocatalytic reactions for energy storage and conversion at the atomic scale. With this knowledge we then try to improve the catalytic performance of the electrode materials.
 

2D-Materials for Catalysis


Another highly active area of research in our group is that devoted to the modelling of 2D-materials as potential cost-effective catalysts for various industrial processes. Some of these reactions can be conducted both under thermal or electrochemical conditions. In these cases, we explore both options to predict which one provides the best catalytic activity and selectivity (if applicable), as well as the optimal experimental conditions.
 

Metal Oxides Catalysis


Transition metal oxides (TMOs) have been shown to effectively promote a wide variety of catalytic reactions, and hence, they are at the very heart of our research agenda. In addition to our investigations on TMOs as potential electrocatalysts for sustainable energy, our group is very interested in the modelling of chemical reactions catalysed by TMOs under thermal conditions. Again, our research in this area aims to provide a unique atomic description of these complex processes to eventually design TMOs materials with an enhanced performance.
 

Homogeneous Catalysis


One of the things that make our group unique is the fact that we have the expertise and know-how of modelling reactions catalysed by both solid surfaces and transition metal complexes. For the latter, we have considerable experience in the elucidation of reaction mechanisms and the theoretical description of the electronic structure of key reaction intermediates and transition states in industry-relevant processes.
 
 



Latest News



21st January 2022

The New Year and Internships!

Group Members, Miscellaneous

The CCEM group has hosted several visiting PhD, MSC and undergraduate students over the past 5 years, but we’ve never sent any of our members abroad. As of 2022 however, that’s all changed! Both Michael and Kevin have gone abroad to ...

17th September 2021

We have Open Positions available!

General

The CCEM group has room for more people! We have PhD positions available for two enthusiastic and hard working people. These PhD students will perform exciting and cutting edge research in the field of green hydrogen production as part o...

17th September 2021

Welcome Manting to the CCEM Group!

General, Group Members

It’s that time of year again where someone new joins our research group! Since 2017, the CCEM group has been steadily growing. As of then, we have had 6 full time positions and many undergraduate, masters and visiting PhD students. This ...

30th September 2020

Anna joins the CCEM Group!

General, Group Members

The CCEM group has grown so quickly since 2017 when Eric joined. He was followed a year later by Michael, and then by Arantxa and Kevin in 2019. This September, we are delighted to announce and welcome Anna Ciotti as a new PhD student! A...

29th September 2019

We have a new Postdoc at CCEM!

General, Group Members

Last year, we had the privilege of hosting Arantxa, an amazing visiting PhD student for 6 months. She did an incredible job at the CCEM Group, and her personality and hard work did not went unnoticed. Because of this, we are immensely ha...


 


Twitter Feed



6 days ago

16 research projects have been awarded funding in the latest round of Frontiers for the Future Programme. welcomed the announcement saying the projects will have "great societal impact in addressing important scient...

6 days ago

I’m thrilled that our has been awarded one of the Frontier for the Future Projects!☺️ This will allow us to take the accelerated design of water oxidation electrocatalysts to the next level!💪🏻 Congrat...

2 weeks ago

Many congrats for this excellent mini-review on the state-of-the-art of descriptors for the O2 evolution reaction, and future challenges & opportunities in the field!🥳👏🏻 A highly recommended read fo...

3 weeks ago

More Great News this week!!!🤩🤩🤩 Our mentor has been awarded the YOUNG RESEARCHER AWARD – modality “Group Leader” from . Lots Lots Congratulations!👏👏👏 What a wonderful week!!🌞🌟💪...



 



External Links

 

 


 



Contact Us

 

 
CCEM Logo

Address: Lloyd Institute
Trinity College Dublin
College Green
Dublin 2, Ireland
Phone: (+353) 01 896 8485
E-mail: garciamm@tcd.ie
: @CCEM_Group




© CCEM 2019