arXiv subjects

Carsten Gachot

Publications and source records attributed to Carsten Gachot.

3 recordsLinked to original sources

arXiv2026

Nanomechanics of MXene flakes at gold interfaces

The demand for novel self-powering and sustainable electronics requires major efforts in identifying new advanced materials for nano-applications. MXene have gathered attention due to their electronic and mechanical properties, however, their nanomechanical compliance against a metal-like interface is still not clearly identified. In this work, we employ atomic force microscopy to characterize the nanomechanical properties of a self-assembled thin flake of titanium carbide MXene (Ti3C2Tx) against a gold probe. The investigation returns an interfacial shear stress of 399 MPa, and the observation of nano-wear localized in the center of the MXene flake. Nevertheless, MXene flakes retained their crystallinity in the tribofilms as confirmed by transmission electron microscopy and electron energy loss spectroscopy. The outcomes of this work set the basis for the use of Ti3C2Tx in novel nano harvesting systems involving metal interfaces (e.g., tribovoltaic nanogenerators) with large scope in nanoelectronics, wearable sensing, electric vehicles, and robotics.

cond-mat.mtrl-sci↗

arXiv2025

Adhesion Energy of Phosphorene on Different Pristine and Oxidized Metallic Substrates

Black phosphorus and its single-layer constituent, phosphorene, have emerged as promising two-dimensional materials with remarkable tribological properties. However, recent experimental investigations revealed that the their lubricating capabilities can change with the substrate. The present computational study employs density functional theory calculations to quantify the adhesion energy of both pristine and oxidized phosphorene monolayers on various metallic substrates (aluminum, copper, iron, and chromium) and their corresponding oxides ($\mathrm{Al_2O_3}$, $\mathrm{Cu_2O}$, $\mathrm{Fe_2O_3}$, and $\mathrm{Cr_2O_3}$), correlating these interfacial property with experimentally observed tribological performance. Results demonstrate that oxidized phosphorene presents higher adhesion to all substrates with respect to pristine phosphorene, attributed to favorable interactions between oxygen non-bonding states and substrate empty states. Adhesion is systematically more favorable on pristine metals than on their corresponding oxides, with chromium and iron showing particularly strong interactions due to partially filled 3d orbitals. This result is consistent with the coefficient of friction decrease observed in tribological experiments after scratching the iron substrate, thus removing the outermost oxide layer. Charge redistribution correlates with the adhesion and electronic structure analyses reveal system-dependent interfacial bonding characteristics, with some configurations inducing metallic character in phosphorene. These findings provide fundamental insights into substrate-dependent lubricating properties of black phosphorus, highlighting the key role of layer-substrate adhesion.

cond-mat.mtrl-sci↗

arXiv2023

Se Nano-Powder Conversion into Lubricious 2D Selenide Layers by Tribochemical Reactions

Transition metal dichalcogenide (TMD) coatings have attracted enormous scientific and industrial interest due to their outstanding tribological behavior. The paradigmatic example is MoS2, even though selenides and tellurides have demonstrated superior tribological properties. Here, we describe an innovative in-operando conversion of Se nano-powders into lubricious 2D selenides by sprinkling them onto sliding metallic surfaces coated with Mo and W thin films. Advanced material characterization confirms the tribochemical formation of a thin tribofilm containing selenides, reducing the coefficient of friction down to below 0.1 in ambient air, levels typically reached using fully formulated oils. Ab initio molecular dynamics simulations under tribological conditions reveal the atomistic mechanisms that result in shear-induced synthesis of selenide monolayers from nano-powders. The use of Se nano-powder provides thermal stability and prevents outgassing in vacuum environments. Additionally, the high reactivity of the Se nano-powder with the transition metal coating in the conditions prevailing in the contact interface yields highly reproducible results, making it particularly suitable for the replenishment of sliding components with solid lubricants, avoiding the long-lasting problem of TMD-lubricity degradation caused by environmental molecules. The suggested straightforward approach demonstrates an unconventional and smart way to synthesize TMDs in-operando and exploit their friction- and wear reducing impact.

cond-mat.mtrl-sci↗