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List of works by Sergey M Kozlov

Approaching complexity of alkyl hydrogenation on Pd via density-functional modelling

scientific article published in August 2017

Bandgap engineering of graphene by physisorbed adsorbates

scientific article published on 12 April 2011

Bulk Properties of Transition Metals: A Challenge for the Design of Universal Density Functionals

scientific article

Counting electrons on supported nanoparticles.

scientific article published on 14 December 2015

Direct versus ligand-exchange synthesis of [PtAg28(BDT)12(TPP)4]4- nanoclusters: effect of a single-atom dopant on the optoelectronic and chemical properties

scientific article

Doping-Induced Anisotropic Self-Assembly of Silver Icosahedra in [Pt2Ag23Cl7(PPh3)10] Nanoclusters

scientific article published on 9 January 2017

Effect of MgO(100) support on structure and properties of Pd and Pt nanoparticles with 49-155 atoms

scientific article published on 01 August 2013

Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree–Fock exchange

scientific article published on 01 April 2015

Establishing the Accuracy of Broadly Used Density Functionals in Describing Bulk Properties of Transition Metals.

scientific article published on March 2013

Formation of one-dimensional electronic states along the step edges of CeO₂(111).

scientific article published on 6 January 2012

How absorbed hydrogen affects the catalytic activity of transition metals

scientific article published on 07 October 2014

How to determine accurate chemical ordering in several nanometer large bimetallic crystallites from electronic structure calculations.

scientific article

O vacancies on steps on the CeO2(111) surface

scientific article published on 01 May 2014

Reduced ceria nanofilms from structure prediction

scientific article published on 01 March 2015

Revealing chemical ordering in Pt-Co nanoparticles using electronic structure calculations and X-ray photoelectron spectroscopy

scientific article published on 8 May 2015

Roughening of Copper (100) at Elevated CO Pressure: Cu Adatom and Cluster Formation Enable CO Dissociation

scientific article published on 23 October 2018

The role of metal/oxide interfaces for long-range metal particle activation during CO oxidation.

scientific article

Theoretical assessment of graphene-metal contacts.

scientific article

Theoretical study of carbon species on Pd(111): competition between migration of C atoms to the subsurface interlayer and formation of Cn clusters on the surface

scientific article published on 14 October 2009

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