arXiv subjects

Benoît Hackens

Publications and source records attributed to Benoît Hackens.

10 recordsLinked to original sources

arXiv2026

Model-derived conversion formula for real-time gas monitoring based on chemiresistive sensors

Chemiresistive gas sensors transduce gas adsorption into changes in the electrical resistance across a pair of electrodes connected by a sensitive layer of material. This type of sensor is used due to its simple operation, high sensitivity, low cost, and convenience for scaled-up manufacturing of microsized devices. The conversion of the electrical resistance to a corresponding gas concentration is often performed through calibration procedures using empirical formulas, overlooking part of the physical phenomena involved in the process, both on the sorption kinetics and on the transduction. Consequently, a direct evaluation of gas concentration is plagued by the response delays and slow recovery intrinsic to these processes. In contrast to this approach, here we first propose a physical model, based on gas-modulated potential barriers, and considering the out-of-equilibrium dynamic response. Based on this model, we derive an original conversion formula able to dynamically convert the resistance changes into a corresponding gas concentration thus eliminating the main drawback related to slow response and recovery. This new strategy is demonstrated for real-time NO2 gas sensing, using chemiresistors based on oxidized PbS nanocrystals. In addition, the broader application of the proposed model and strategy is demonstrated for NH3 sensing, based on polypyrrole/gold junctions.

physics.ins-det↗

arXiv2026

Elucidating different $NO_{2}$ sensing mechanisms in oxidized PbS nanocrystals

In this work we provide an in-depth analysis of the sensing mechanisms of $NO_{2}$ by lead-sulfide nanocrystals (PbS-NCs). A detailed model for the sorption mechanism is proposed, and the correlation is established between experimental sensing characteristics and the surface composition, based on both experimental characterization and ab initio (DFT) simulations. We demonstrated how the sensitivity and the sensing dynamic response can be tuned by a post-deposition multistep dry-thermal process at mild temperature, that alternates vacuum-assisted annealing and heating in open-air. Sensors with different surface compositions were fabricated, and their dynamic response was characterized at low concentration of $NO_{2}$ (0.5 ppm) in air, at ambient temperature. DFT simulations indicate that both surface stoichiometry and oxidation critically govern $NO_{2}$ interaction on PbS, with sulfur-rich terminations favoring weaker binding and faster desorption, while intermediate oxidation enhances interaction and overoxidation leads to surface passivation, in agreement with the measured experimental sensing dynamics. By linking surface composition, adsorption chemistry, and resistance transduction within a single framework, this work provides clear indications to design room-temperature, low-ppm $NO_{2}$ microsensors fabricated through a simple and scalable processes.

cond-mat.mtrl-sci↗

arXiv2025

Inter-flake transport and humidity response of Ti3C2Tx MXene at the nanoscale

Understanding charge transport in networks of two-dimensional crystals is essential for developing reliable applications such as chemiresistors or electromagnetic shields. For this purpose, intra- and inter-flake contributions to the network resistance must be disentangled. MXenes, such as Ti3C2Tx, are prime examples of 2D crystals often employed as thin networks of interconnected flakes deposited on substrates to realize functional devices. While a significant number of studies focused on transport in individual MXene flakes, inter-flake transport remains scarcely explored. Here, we demonstrate that charge transport in multi-flake conductive paths of Ti3C2Tx is dominated by interflake junctions and provide quantitative estimates of junction resistances. Scanning probe measurements reveal that in a MXene multi-flake conductive path, individual flakes behave as isopotential domains, since the voltage drop is localized precisely at the inter-flake junctions. We further investigate the chemiresistive response to humidity at the single flake, multi-flake and flake network scale, evidencing the leading impact of junctions on sensing kinetics. These findings underline the crucial role of junctions in charge transport and sensing capabilities of MXenes.

cond-mat.mes-hall↗

arXiv2025

Fast hydrogen atom diffraction through monocrystalline graphene

We report fast atom diffraction through single-layer graphene using hydrogen atoms at kinetic energies from 150 to 1200 eV. High-resolution images reveal overlapping hexagonal patterns from coexisting monocrystalline domains. Time-of-flight tagging confirms negligible energy loss, making the method suitable for matter-wave interferometry. The diffraction is well described by the eikonal approximation, with accurate modeling requiring the full 3D interaction potential from DFT. Simpler models fail to reproduce the data, highlighting the exceptional sensitivity of diffraction patterns to atom-surface interactions and their potential for spectroscopic applications.

cond-mat.mes-hall↗

arXiv2025

Thermal transport mapping in twisted double bilayer graphene

Two-dimensional (2D) materials have attracted significant interest due to their tunable physical properties when stacked into homo- and hetero-structures. Twisting adjacent layers introduces moir\'{e} patterns that strongly influence the material electronic and thermal behavior. In twisted graphene systems, the twist angle critically alters phonon transport, leading to reduced thermal conductivity compared to Bernal-stacked configurations. However, experimental investigations into thermal transport in twisted structures remain limited. Here, we study the local thermal properties of twisted double bilayer graphene (TDBG) using Scanning Thermal Microscopy (SThM). We find an increase in thermal resistance of $0.3 \pm 0.1 \times 10^6 KW^{-1}$ compared to untwisted bilayers, attributed to changes in both intrinsic thermal conductivity and the tip-sample interface. These results, supported by analytical modeling, provide new insight into thermal transport mechanisms in twisted 2D systems and offer a pathway toward thermal engineering in twistronic devices.

cond-mat.mes-hall↗

arXiv2024

Quantifying the local mechanical properties of twisted double bilayer graphene

Nanomechanical measurements of minimally twisted van der Waals materials remained elusive despite their fundamental importance for device realisation. Here, we use Ultrasonic Force Microscopy (UFM) to locally quantify the variation of out-of-plane Young's modulus in minimally twisted double bilayer graphene (TDBG). We reveal a softening of the Young's modulus by 7\% and 17\% along single and double domain walls, respectively. Our experimental results are confirmed by force-field relaxation models. This study highlights the strong tunability of nanomechanical properties in engineered twisted materials, and paves the way for future applications of designer 2D nanomechanical systems.

cond-mat.mes-hall↗

arXiv2021

Contacts and upstream modes explain the electron-hole asymmetry in the graphene quantum Hall regime

Observations of electron-hole asymmetry in transport through graphene devices at high magnetic field challenge prevalent models of the graphene quantum Hall effect. Here, we study this asymmetry both in conventional magnetotransport and in scanning gate microscopy maps measured in an encapsulated graphene constriction. We reveal that the presence of upstream modes and local doping in the vicinity of electrical contacts leads to a totally different picture of topological breakdown for electrons and holes, explaining the observed asymmetry.

cond-mat.mes-hall↗

arXiv2018

Electronic and vibrational properties of V$_2$C-based MXenes: from experiments to first-principles modeling

In the present work, the electronic and vibrational properties of both pristine V$_2$C and fully-terminated V$_2$CT$_2$ (where T = F, O, OH) 2D monolayers are investigated using density functional theory. Firstly, the atomic structures of V$_2$C-based MXene phases are optimized and their respective dynamical stabilities are discussed. Secondly, electronic band structures are computed indicating that V$_2$C is metallic as well as all the corresponding functionalized systems. Thirdly, the vibrational properties (phonon frequencies and spectra) of V$_2$C-based MXenes are computed thanks to density functional perturbation theory and reported for the first time. Both Raman (E$_g$, A$_{1g}$) and infrared active (E$_u$, A$_{2u}$) vibrational modes are predicted \textit{ab initio} with the aim to correlate the experimental Raman peaks with the calculated vibrational modes and to assign them with specific atomic motions. The effect of the terminal groups on the vibrational properties is emphasized as well as on the presence and position of the corresponding Raman peaks. Our results provide new insights for the identification and characterization of V$_2$C-based samples using Raman spectroscopy.

physics.chem-ph↗

arXiv2016

Oxidation-assisted graphene heteroepitaxy on copper foil

We propose an innovative, easy-to-implement approach to synthesize large-area singlecrystalline graphene sheets by chemical vapor deposition on copper foil. This method doubly takes advantage of residual oxygen present in the gas phase. First, by slightly oxidizing the copper surface, we induce grain boundary pinning in copper and, in consequence, the freezing of the thermal recrystallization process. Subsequent reduction of copper under hydrogen suddenly unlocks the delayed reconstruction, favoring the growth of centimeter-sized copper (111) grains through the mechanism of abnormal grain growth. Second, the oxidation of the copper surface also drastically reduces the nucleation density of graphene. This oxidation/reduction sequence leads to the synthesis of aligned millimeter-sized monolayer graphene domains in epitaxial registry with copper (111). The as-grown graphene flakes are demonstrated to be both single-crystalline and of high quality.

cond-mat.mtrl-sci↗

arXiv2013

The influence of residual oxidizing impurities on the synthesis of graphene by atmospheric pressure chemical vapor deposition

The growth of graphene on copper by atmospheric pressure chemical vapor deposition in a system free of pumping equipment is investigated. The emphasis is put on the necessity of hydrogen presence during graphene synthesis and cooling. In the absence of hydrogen during the growth step or cooling at slow rate, weak carbon coverage, consisting mostly of oxidized and amorphous carbon, is obtained on the copper catalyst. The oxidation originates from the inevitable occurrence of residual oxidizing impurities in the reactor's atmosphere. Graphene with appreciable coverage can be grown within the vacuum-free furnace only upon admitting hydrogen during the growth step. After formation, it is preserved from the destructive effect of residual oxidizing contaminants once exposure at high temperature is minimized by fast cooling or hydrogen flow. Under these conditions, micrometer-sized hexagon-shaped graphene domains of high structural quality are achieved.

cond-mat.mtrl-sci↗