Optics • Spectroscopy • Thin films • DFT • Photovoltaics

Denis David

Physicist — Physical modelling, simulation and scientific analysis

Do you have a physical modelling or interpretation problem that your team cannot resolve? I can study it remotely, build the appropriate model, perform the calculations and provide an actionable scientific analysis.

ONERA • Dassault Aviation • Federal University of Bahia

Contact meSee case studies

What I can do for you

From a physical question to a usable result

My usual path is simple: physical model → equations → numerical calculation → interpretation.

01

Physical modelling & scientific simulation

Thermal phenomena, optics, radiation, atmospheric propagation, lasers, non-destructive testing, electrodeposition and related problems.

02

Optics, spectroscopy & radiation–matter interaction

Atmospheric transmission, visible/infrared spectroscopy, photoacoustics, XPS/PEELS, dielectric functions and DFT-assisted interpretation.

03

Semiconductors, thin films & photovoltaics

Optical properties of multilayers, heterojunctions, thin-film solar cells, device modelling and growth-related questions.

Examples of problems studied

Different physical systems, the same problem-solving method

XPS / PEELS

Energy-loss spectrum of single-crystal aluminium

Problem — XPS/PEELS applied to single-crystal aluminium is a particularly demanding test because of its metallic character.

Approach — The asymmetric elastic peak is modelled very precisely. The multiple-resonance loss spectrum is then analysed by a Fourier-transform method to retrieve the loss function.

Result — Interband transitions close to the elastic peak are revealed in addition to the purely metallic response.

Aluminium XPS energy-loss spectrum
Measured energy-loss spectrum.
Complex dielectric function of aluminium
Complex dielectric function derived from the spectrum.

Molecular spectroscopy

Emission spectrum of molecular iodine

Problem — Energy transfer from singlet oxygen dissociates molecular iodine and produces a particularly complex molecular spectrum whose origin must be identified.

Approach — Each observed transition is interpreted as a rovibrational band following a Boltzmann distribution. The band sequence identifies the vibrational levels, while derived molecular constants identify the molecular states involved.

Result — The observed bands are assigned to transitions from the excited A state to the ground X state.

Molecular iodine emission spectrum
Observed molecular iodine emission bands.
Identification of iodine rovibrational progressions
Identification of the rovibrational progressions.

Electrodeposition modelling

Electrochemical growth of CuInSe₂

Problem — Understand how the electric field and substrate roughness influence deposit growth.

Approach — Model the random motion of the ionic species together with the local electric field close to a rough substrate.

Result — The model reproduces the onset of fractal growth and allows the mechanisms driving the deposit morphology to be investigated.

Initial ionic distribution in the CuInSe2 electrodeposition model
Initial distribution.
CuInSe2 electrodeposition simulation after 100000 steps
Distribution after 100,000 steps.

Photovoltaic device modelling

Performance of thin-film solar cells

Problem — Predict cell performance so that the number of samples that must be fabricated can be reduced.

Approach — Model a multilayer structure comprising a transparent conductive layer, N- and P-type absorber films and a rear contact. Optical properties and electron–hole recombination mechanisms are included.

Result — The model satisfactorily reproduces devices such as CdS–CdTe, IS–CIS, CdS–CIS, ZnO–Cu₂O and CdS–Cu₂O cells.

Calculated photovoltaic current and power
Calculated current and power.
Calculated photovoltaic voltage and efficiency
Calculated voltage and efficiency.

DFT-assisted spectroscopy

Energy-loss spectrum of black phosphorus

Problem — Black phosphorus is strongly anisotropic, so its XPS energy-loss spectrum depends on the analysis direction.

Approach — Interpretation requires a dielectric function depending on angle and transferred momentum. These effects are calculated using the QUESTAAL code.

Result — Theory–experiment comparison accounts for the anisotropy observed in the energy-loss spectra.

Black phosphorus energy-loss spectra at 0 degrees
Theory and experiment at 0°.
Black phosphorus energy-loss spectra at 80 degrees
Theory and experiment at 80°.

Scientific background

Experience supported by many published studies

XPS/PEELS and dielectric functions • materials and nanomaterials • thin films • photovoltaics • atomic and molecular spectroscopy.

Publications & scientific references →

What I deliver

  • Documented physical model
  • Calculations or simulations
  • Analysis of experimental data
  • Graphs and numerical results
  • Physical interpretation of the results
  • Technical report with conclusions and recommendations
  • Software or calculation routines developed specifically for the study, when needed

How we work together

Work is carried out mainly remotely, with regular videoconference exchanges and occasional on-site intervention when the project requires it.

I can work from your existing measurements, data, experimental setup or physical question and focus on the modelling, calculation and scientific interpretation.

Languages

French • English • Portuguese

Background

Research, industry and scientific problem solving

More than four decades across fundamental physics, industrial R&D, instrumentation, spectroscopy and photovoltaic research.

1979PhD in atomic physics — University of Caen
1980–1987Research engineer — ONERA
1988–1990Researcher — UEFS, Brazil
1990–2001Engineer — Dassault Aviation
2001–2004Professor — UEFS, Brazil
2005–2025Professor — UFBA, Brazil
Earlier experimental and engineering projects