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Exploring the role of van der Waals (vdW) forces on the adsorption of molecules on extended metal surfaces has become possible in recent years thanks to exciting developments in density functional theory (DFT). Among these newly developed…
Van der Waals heterostructures (vdWH) are made of different two-dimensional (2D) layers stacked on top of each other, forming a single material with unique properties that differ from those of the individual 2D constituent layers, and that…
Three-dimensional (3D) printing of bioelectronics offers a versatile platform for fabricating personalized and structurally integrated electronic systems within biological scaffolds. Biodegradable electronics, which naturally dissolve after…
We present the idea and illustrate potential benefits of having a tool chain of closely related regular, unscreened and screened hybrid exchange-correlation (XC) functionals, all within the consistent formulation of the van der Waals…
Precise assessment of the mechanical properties of soft biological systems at the nanoscale is crucial for understanding physiology, pathology, and developing relevant drugs. Conventional atomic force microscopy (AFM)-based indentation…
The DFT/vdW-WF2s1 method, recently developed to include the van der Waals interactions in the Density Functional Theory and describe adsorption processes on metal surfaces by taking metal-screening effects into account, is applied to the…
Recent reports on machine learning (ML) and machine vision (MV) devices have demonstrated the potentials of 2D materials and devices. Yet, scalable 2D devices are being challenged by contact resistance and Fermi Level Pinning (FLP), power…
Van der Waals heterostructures (VdWHs) composed of 2D materials have attracted significant attention in recent years due to their intriguing optical properties, such as strong light-matter interactions and large intrinsic anisotropy. In…
Nonlinear systems and interaction forces are pervasive in many scientific fields, such as nanoscale metrology and materials science, but their accurate identification is challenging due to their complex behaviour and inaccessibility of…
We present a method where a bioactive functional layer on an electrically conductive thin film with high sheet resistance can be effectively used for complementary electrochemical impedance spectroscopy biosensing. The functional layer's…
Accurately digitizing physical objects is central to many applications, including virtual/augmented reality, industrial design, and e-commerce. Prior research has demonstrated efficient and faithful reconstruction of objects' geometric…
Accurate prediction of electronic and optical excitations in van der Waals (vdW) materials is a long-standing challenge for density functional theory. The recently proposed Wannier-localized optimally-tuned screened range-separated hybrid…
Paper holds the promise to replace silicon substrates in applications like internet of things or disposable electronics that require ultra-low-cost electronic components and an environmentally friendly electronic waste management. In the…
Electronic skin, a class of wearable electronic sensors that mimic the functionalities of human skin, has made remarkable success in applications including health monitoring, human-machine interaction and electronic-biological interfaces.…
Determining the electronic properties of nanoscopic, low-dimensional materials free of external influences is key to discovery and understanding of new physical phenomena. An example is the suspension of graphene, which has allowed access…
Quasi-two-dimensional (Quasi-2D) van der Waals (vdW) materials can be mechanically or chemically exfoliated down to monolayer because of their strong intralayer bonding and the weak interlayer vdW interaction. Thanks to this unique…
In this work, we study structural and vibrational properties of multilayer graphene using density-functional theory (DFT) with van der Waals (vdW) functionals. Initially, we analyze how different vdW functionals compare by evaluating the…
Proper inclusion of van der Waals (vdW) interactions in theoretical simulations based on standard density functional theory (DFT) is crucial to describe the physics and chemistry of systems such as organic and layered materials. Many…
Quantum devices made from van der Waals (vdW) heterostructures of two dimensional (2D) materials may herald a new frontier in designer materials that exhibit novel electronic properties and unusual electronic phases. However, due to the…
2D materials (2DM) and their heterostructures (2D + nD, n = 0,1,2,3) hold significant promise for applications in Electrochemical Energy Storage Systems (EESS), such as batteries. 2DM can serve as van der Waals (vdW) slick interface between…