Dispersive forces of particle–surface interactions: direct AFM measurements and modelling

Fundamentals of particle–particle interaction are of great interest in agglomeration processes. Particle adhesion depends on dispersive forces (van der Waals force), local chemical bindings, Coulomb force and capillary attractions. Additionally, surface properties like roughness, adsorption layers and surface chemistry strongly affect adhesion forces. van der Waals interactions are poorly understood because popular ab initio force calculations for molecules like density functional theory (DFT) often do not lead to proper results. van der Waals forces are difficult to measure directly. We present direct measurements of particle–particle and particle–surface interactions in the gas phase carried out with an atomic force microscope (AFM). Special emphasis is given to a proper statistical treatment of the data. For modelling of particle adhesion, we use computer-assisted empirical potential methods. Parameters like adsorbed water and surface roughness are considered. We extract parameters for weak interactions from the Lifshitz theory and gas adsorption data. Adsorbing molecules can be used as probes to measure dispersive forces. Studying surface and particle properties combined with computer-assisted modelling is a basic requisite to reach the aim of predicting particle–particle interactions in industrial processes.     

Buckling analysis of multi-walled carbon nanotubes under combined loading considering the effect of small length scale

The torsional and axially compressed buckling of an individual embedded multi-walled carbon nanotube (MWNTs) subjected to an internal and/or external radial pressure was investigated in this study. The emphasis is placed on new physical phenomena which are due to both the small length scale and the surrounding elastic medium. Multiwall carbon nanotubes which are considered in this study are classified into three categories based on the radius to thickness ratio, namely, thin, thick, and almost solid. Explicit formulas are derived for the van der Waals (vdW) interaction between any two layers of an MWNT based on the continuum cylindrical shell model. In most of the previous studies, the vdW interaction between two adjacent layers was considered only and the vdW interaction among other layers was neglected. Moreover, in these works, the vdW interaction coefficient was treated as a constant that was independent of the radii of the tubes. However, in the present model the vdW interaction coefficients are considered to be dependent on the change of interlayer spacing and the radii of the tubes. The effect of the small length scale is also considered in the present formulation. The results show that there is a unique buckling mode (m,n) corresponding to the critical shear stress. This result is obviously different from what is expected for the pure axially compressed buckling of an individual multi-walled carbon nanotube.     

烷烃二元混合物导热率的测定与预测

用实验室建立的小型液体导热率测试仪，测定常压下正庚烷－正十二烷和正十一烷－正十六烷两个二元烷烃混合物体系在３１３．１５Ｋ、３３３．１５Ｋ及３５３．１５Ｋ时的导热率数据。另外，还将流体传递性质的ｖａｎｄｅｒＷａｌｓ模型扩展，应用该模型合适的混合规则，对研究的两个烷烃二元混合物体系不同温度下的导热率进行了预测，结果令人满意。     

低温下实际与理想气体状态方程的热物性比较

在现代工程中，有关低温气体热物性的研究已经取得了很大的进展。但是，如环境温度在-100℃～25℃的低温条件下，理想气体状态方程往往就不能满足实际计算的需要，这就需要低温下能较为正确地描述气体热物性的方程。实例计算显示，温度越低，理想气体状态方程的准确性越低，一般在低温下工程上选择范德瓦尔方程进行气体性质的计算。     

Direct Growth of Germanene at Interfaces between Van der Waals Materials and Ag(111)

Germanene, a 2D honeycomb germanium crystal, is grown at graphene/Ag(111) and hexagonal boron nitride (h-BN)/Ag(111) interfaces by segregating germanium atoms. A simple annealing process in N₂ or H₂/Ar at ambient pressure leads to the formation of germanene, indicating that an ultrahigh-vacuum condition is not necessary. The grown germanene is stable in air and uniform over the entire area covered with a van der Waals (vdW) material. As an important finding, it is necessary to use a vdW material as a cap layer for the present germanene growth method since the use of an Al₂O₃ cap layer results in no germanene formation. The present study also proves that Raman spectroscopy in air is a powerful tool for characterizing germanene at the interfaces, which is concluded by multiple analyses including first-principles density functional theory calculations. The direct growth of h-BN-capped germanene on Ag(111), which is demonstrated in the present study, is considered to be a promising technique for the fabrication of future germanene-based electronic devices.     

Dielectric Properties of Ultrathin CaF2 Ionic Crystals

Mechanically exfoliated 2D hexagonal boron nitride (h-BN) is currently the preferred dielectric material to interact with graphene and 2D transition metal dichalcogenides in nanoelectronic devices, as they form a clean van der Waals interface. However, h-BN has a low dielectric constant (≈3.9), which in ultrascaled devices results in high leakage current and premature dielectric breakdown. Furthermore, the synthesis of h-BN using scalable methods, such as chemical vapor deposition, requires very high temperatures (>900 °C) , and the resulting h-BN stacks contain abundant few-atoms-wide amorphous regions that decrease its homogeneity and dielectric strength. Here it is shown that ultrathin calcium fluoride (CaF₂) ionic crystals could be an excellent solution to mitigate these problems. By applying >3000 ramped voltage stresses and several current maps at different locations of the samples via conductive atomic force microscopy, it is statistically demonstrated that ultrathin CaF₂ shows much better dielectric performance (i.e., homogeneity, leakage current, and dielectric strength) than SiO₂, TiO₂, and h-BN. The main reason behind this behavior is that the cubic crystalline structure of CaF₂ is continuous and free of defects over large regions, which prevents the formation of electrically weak spots.     

Layered Antiferromagnetism Induces Large Negative Magnetoresistance in the van der Waals Semiconductor CrSBr

The recent discovery of magnetism within the family of exfoliatable van der Waals (vdW) compounds has attracted considerable interest in these materials for both fundamental research and technological applications. However, current vdW magnets are limited by their extreme sensitivity to air, low ordering temperatures, and poor charge transport properties. Here the magnetic and electronic properties of CrSBr are reported, an air-stable vdW antiferromagnetic semiconductor that readily cleaves perpendicular to the stacking axis. Below its Néel temperature, T_N = 132 ± 1 K, CrSBr adopts an A-type antiferromagnetic structure with each individual layer ferromagnetically ordered internally and the layers coupled antiferromagnetically along the stacking direction. Scanning tunneling spectroscopy and photoluminescence (PL) reveal that the electronic gap is Δ_E = 1.5 ± 0.2 eV with a corresponding PL peak centered at 1.25 ± 0.07 eV. Using magnetotransport measurements, strong coupling between magnetic order and transport properties in CrSBr is demonstrated, leading to a large negative magnetoresistance response that is unique among vdW materials. These findings establish CrSBr as a promising material platform for increasing the applicability of vdW magnets to the field of spin-based electronics.     

A New Opportunity for 2D van der Waals Heterostructures: Making Steep-Slope Transistors

The use of a foreign metallic cold source (CS) has recently been proposed as a promising approach toward the steep-slope field-effect-transistor (FET). In addition to the selection of source material with desired density of states–energy relation (D(E)), engineering the source:channel interface for gate-tunable channel-barrier is crucial to CS-FETs. However, conventional metal:semiconductor (MS) interfaces generally suffer from strong Fermi-level pinning due to the inevitable chemical disorder and defect-induced gap states, precluding the gate tunability of the barriers. By comprehensive materials and device modeling at the atomic scale, it is reported that 2D van der Waals (vdW) MS interfaces, with their atomic sharpness and cleanness, can be considered as general ingredients for CS-FETs. As test cases, InSe-based n-type FETs are studied. It is found that graphene can be spontaneously p-type doped along with slightly opened bandgap around the Dirac-point by interfacing with InSe, resulting in superexponentially decaying hot carrier density with increasing n-type channel-barrier. Moreover, the D(E) relations suggest that 2D transition-metal dichalcogenides and 2D transition-metal carbides are a rich library of CS materials. Graphene, Cd₃C₂, T-VTe₂, H-VTe₂, and H-TaTe₂ CSs lead to subthreshold swing below 60 mV dec⁻¹. This work broadens the application potentials of 2D vdW MS heterostructures and serves as a springboard for more studies on low-power electronics based on 2D materials.     

High Thermoelectric Performance Achieved in GeTe–Bi2Te3 Pseudo‐Binary via Van der Waals Gap‐Induced Hierarchical Ferroelectric Domain Structure

GeTe is an interesting material presenting both spontaneous polarization (ferroelectrics) and outstanding electrical conductivity (ideal for thermoelectrics). Pristine GeTe exhibits classic 71° and 109° submicron ferroelectric domains, and near unity thermoelectric figure of merit ZT at 773 K. In this work, it is demonstrated that Bi₂Te₃ alloying in GeTe lattice can introduce vast Ge vacancies which can further evolve into nanoscale van der Waals gaps upon proper heat treatment, and that these vacancy gaps can induce 180° nanoscale ferroelectric domain boundaries. These microstructures eventually become a hierarchical ferroelectric domain structure, with size varying from submicron to nanoscale and polarization from 71°, 109° to 180°. The establishment of hierarchical ferroelectric domain structure, together with the nanoscale Ge vacancy van der Waals gaps, has profound effects on the electrical and thermal transport properties, resulting in a striking peak thermoelectric ZT ≈ 2.4 at 773 K. These findings might provide an alternative conception for thermoelectric optimization via microstructure modulation.