Institut des Sciences Chimiques de Rennes (ISCR)
Inorganic Theoretical Chemistry

CNRS Researcher

Institut des Sciences Chimiques de Rennes
Université de Rennes 1
Campus de Beaulieu
35042 Rennes


Halide hybrid organic-inorganic perovskites

Halide hybrid perovskites have become a hot topic in the last few years, primarily due to their undeniable breakthrough in photovoltaic research and development with solar-to-electricity conversion efficiency records that went from 3.8% to over 24% [see NREL chart]. Halide perovskites come in many flavors (3-dimensional, 2-dimensional, colloidal nanostructures). Prior to that craze, the layered form of halide perovskites were the star of the family thanks to the great photophysical properties they exhibit. My work focus on the electronic, optical and transport properties of 3D and layered perovskites that are rationalized thanks to concepts of solid-state chemistry and physics.

a Shapes of halide hybrid organic-inorganic perovskites. b Scheme of a HOP-based spin-FET taking advantage of the Rashba effect. c Layered halide perovskites: properties and applications.

Selected publications

Concept of lattice mismatch and emergence of surface states in 2D hybrid perovskite quantum wells
M. Kepenekian, B. Traore, J.-C. Blancon, L. Pedesseau, H. Tsai, W. Nie, C. C. Stoumpos, M. G. Kanatzidis, J. Even, A. D. Mohite, S. Tretiak, C. Katan
Nano Lett. 2018, 18, 5603

Extremely efficient internal exciton dissociation through edge-states in layered 2D perovskites for high-efficiency optoelectronic devices
J.-C. Blancon, H. Tsai, W. Nie, C. C. Stoumpos, L. Pedesseau, C. Katan, M. Kepenekian, K. Appavoo, M. Y. Sfeir, S. Tretiak, M. G. Kanatzidis, J. Even, J. J. Crochet, A. D. Mohite
Science 2017, 355, 1288

Rashba and Dresselhaus effects in hybrid organic-inorganic perovskites: from basics to devices
M. Kepenekian, R. Robles, C. Katan, D. Sapori, L. Pedesseau, J. Even
ACS Nano 2015, 12, 11557

Supported functional molecules and networks

Ever since the fundamental work of Aviram and Ratner [Chem. Phys. Lett. 1974, 29, 277], the aspiration to susbstitute functional molecules to silicon-based devices has generated a whole new topic for physicists and chemists. Inorganic chemistry has produced a wealth of functional molecules presenting optic, magnetic or electronic activity. By supporting those molecules one can form a molecular device and perform logic operations. Here, organometallic compounds are associated with mettalic or semiconductor surfaces and inspected by DFT approaches and NEGF subsequent treatments.

a Supported metal-organic framework with potential spin-crossover properties. b Molecular cluster Mo6Br8(NCS)6 supported on Au(100) with persistent luminescence.

Selected publications

Red-NIR luminescence of Mo6 monolayered assembly directly anchored on Au(001)
M. Kepenekian, Y. Molard, K. Costuas, P. Lemoine, R. Gautier, S. Ababou-Girard, B. Fabre, P. Turban, S. Cordier
Mater. Horizons 2019, 6, 1828
Front cover of issue 9 (November 2019)

Towards highly cooperative spin-crossover metal-organic frameworks on metallic surfaces
T. Groizard, N. Papior, B. Le Guennic, V. Robert, M. Kepenekian
J. Phys. Chem. Lett. 2017, 8, 3415

Difficulties in the ab-initio description of electron transport through spin filters
M. Kepenekian, J.-P. Gauyacq, N. Lorente
J. Phys.: Condens. Matter 2014, 26, 104203

Classical semiconductors

The electronic transport properties of classical semiconductors (Si-based structures and CdSe colloidal nanoplatelets) as well as the dielectric properties are studied by DFT approaches and non-equilibrium Green's functions (NEGF).

a Electronic transport study of dangling-bond wires on the H-passivated Si(100) surface. b Dielectric profile of colloidal nanoplatelets of CdSe.

Selected publications

Electronic surface states and dielectric self-energy profiles in colloidal nanoscale platelets of CdSe
J. Even, L. Pedesseau, M. Kepenekian
Phys. Chem. Chem. Phys. 2014, 16, 25182

Spin transport in dangling-bond wires on doped H-passivated Si(100)
M. Kepenekian, R. Robles, R. Rurali, N. Lorente
Nanotechnology 2014, 25, 465703

Surface-state engineering for interconnects on H-passivated Si(100)
M. Kepenekian, R. Robles, C. Joachim, N. Lorente
Nano Lett. 2013, 13, 1192