#  Heterogeneous catalysis 

 



##  Recent Publications in Heterogeneous catalysis 

 



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### 2015

Kolesov G, Vinichenko D, Tritsaris G, Friend C, Kaxiras E. [Anatomy of the Photochemical Reaction: Excited-State Dynamics Reveals the C−H Acidity Mechanism of Methoxy Photo-oxidation on Titania](/publications/anatomy-photochemical-reaction-excited-state-dynamics-reveals-c%E2%88%92h). Journal of Physical Chemistry Letters. 2015;6:1624–1627.



 

 

Kolesov G, Vinichenko D, Tritsaris G, Friend C, Kaxiras E. [Anatomy of the Photochemical Reaction: Excited-State Dynamics Reveals the C−H Acidity Mechanism of Methoxy Photo-oxidation on Titania](/publications/anatomy-photochemical-reaction-excited-state-dynamics-reveals-c%E2%88%92h). Journal of Physical Chemistry Letters. 2015;6:1624–1627.



 

 

 

- add\_circle do\_not\_disturb\_on Abstract
- [ picture\_as\_pdf2015\_jchemphys\_6\_1624-162...](/sites/g/files/omnuum11321/files/efthimios_kaxiras/files/2015_jchemphys_6_1624-1627_0.pdf)
 
Light-driven chemical reactions on semiconductor surfaces have potential for  
addressing energy and pollution needs through efficient chemical synthesis; however, little is known about the time evolution of excited states that determine reaction pathways...



 

 

- [ picture\_as\_pdf2015\_jchemphys\_6\_1624-162...](/sites/g/files/omnuum11321/files/efthimios_kaxiras/files/2015_jchemphys_6_1624-1627_0.pdf)
 
 

 



### 2014

Tritsaris G, Vinichenko D, Kolesov G, Friend C, Kaxiras E. [Dynamics of the Photogenerated Hole at the Rutile TiO2(110)/Water Interface: A Nonadiabatic Simulation Study](/publications/dynamics-photogenerated-hole-rutile-tio2110water-interface). Journal of Physical Chemistry C . 2014;118:27393–27401.



 

 

Tritsaris G, Vinichenko D, Kolesov G, Friend C, Kaxiras E. [Dynamics of the Photogenerated Hole at the Rutile TiO2(110)/Water Interface: A Nonadiabatic Simulation Study](/publications/dynamics-photogenerated-hole-rutile-tio2110water-interface). Journal of Physical Chemistry C . 2014;118:27393–27401.



 

 

 

- add\_circle do\_not\_disturb\_on Abstract
- [ picture\_as\_pdf2014\_jphyschemc\_118\_27393...](/sites/g/files/omnuum11321/files/efthimios_kaxiras/files/2014_jphyschemc_118_27393.pdf)
 
Hydrogen production in photoelectrochemical cells constitutes an important avenue toward carbon-free fuel. The most convenient process for hydrogen production is the splitting of water molecules, which necessitates a catalytic  
reaction involving a...



 

 

- [ picture\_as\_pdf2014\_jphyschemc\_118\_27393...](/sites/g/files/omnuum11321/files/efthimios_kaxiras/files/2014_jphyschemc_118_27393.pdf)
 
 

 



 

 

 

 

 

 

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##  our work 

   ![cl-bonding-au111_02.png](/sites/g/files/omnuum11321/files/styles/hwp_1_1__360x360_scale/public/efthimios_kaxiras/files/cl-bonding-au111_02.png?itok=lD2KAW2V) 

 

The electron density of clorine adsorbed on a gold surface. This work determined the type of interaction between clorine and gold, important for improving the catalytic activity of gold.For the publication click [here.](http://pubs.acs.org/doi/full/10.1021/ja7109234)



 

   ![Silver-gold alloys](/sites/g/files/omnuum11321/files/styles/hwp_1_1__360x360_scale/public/efthimios_kaxiras/files/diffusionpiccropped.png?itok=ixpRMVSz) 

 

Silver-gold alloys, like nanoporous gold, can be excellent oxidation catalysts. In order to understand why, we are studying chemical reactions on various silver-gold surfaces. Shown here is a simple oxygen diffusion step on an flat gold surface with a single silver atom.