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The natural orbital functional theory (NOFT) has emerged as an alternative formalism to both density functional (DF) and wavefunction methods. In NOFT, the electronic structure is described in terms of the natural orbitals (NOs) and their…
Metal-organic frameworks (MOFs) with ultra-small pores offer an optimal environment to effectively capture guest molecules such as CO2. Subtle local dynamics of their frameworks, either throughout reorientation of functional groups grafted…
Through the utilization of smart materials and well-designed structures, functional surfaces have been developed to enable small-scale liquid/solid manipulation tasks, thereby facilitating crucial applications in the fields of…
In this feature article, we provide an overview of our research on statistical copolymers as a coating material for metal oxide nanoparticles and surfaces. These copolymers contain functional groups enabling non-covalent binding to oxide…
The modular nature and unique electronic properties of two-dimensional (2D) covalent organic frameworks (COFs) make them an attractive option for applications in catalysis, optoelectronics, and spintronics. The fabrications of such devices…
Conjugated organic molecules play a central role in a wide range of optoelectronic devices, including organic light-emitting diodes, organic field-effect transistors, and organic solar cells. A major bottleneck in the computational design…
Microfluidic systems with integrated sensors are ideal platforms to study and emulate processes such as complex multiphase flow and reactive transport in porous media, numerical modeling of bulk systems in medicine, and in engineering.…
Metal-organic frameworks (MOFs) possessing many unique features have been utilized in several fields in recent years. However, their application in field emission (FE) vacuum electronic device is hindered by their poor electrical…
True microrobots, in contrast with externally controlled microparticles, must harvest or carry their own source of energy, as well as their own (preferably programmable) microcontroller of actuators for locomotion, using information…
Metal-organic frameworks (MOFs) stand as a promising chemically-active host scaffold for the encapsulation of functional guests, because they could enhance luminescent properties by molecular separation of fluorophores in the nanoscale…
High-precision micromanipulation techniques, including optical tweezers and hydrodynamic trapping, have garnered wide-spread interest. Recent advances in optofluidic multiplexed assembly and microrobotics demonstrate significant progress,…
Photonic crystal fibres (PCFs) are optical fibres that guide light using a modulated dielectric medium. They provide an exceptionally versatile platform for various applications, thanks to the flexibility with which light-guiding can be…
Microrobots hold promise for applications ranging from targeted delivery to enhanced mixing at the microscale. However, current fabrication techniques suffer from limited throughput and material selection. Here, we demonstrate a versatile…
Polymer microspherical resonators that trap light are crucial structures for on-chip and on-board integration in nanophotonic applications. Using advanced micromanipulation and thermo-welding methods, we successfully create welded…
Electrocatalytic CO2 reduction technology is key to mitigating greenhouse gas emissions and the energy crisis. However, controlling the selectivity of CO2RR products at low overpotential remains a challenge. In this paper, we predicted five…
MIL-100 (Fe) is a highly porous metal-organic framework (MOF), considered as a promising carrier for drug delivery, and for gas separation and capture applications. However, this functional material suffers from elaborated and toxic…
Metal-organic frameworks (MOFs) are constructed from a combination of inorganic and organic units to produce materials which display high porosity, among other unique and exciting properties. MOFs have shown promise in many wide-ranging…
Laccase is a natural green catalyst and utilized in pollution treatment. Nevertheless, its practical application is constrained by limitations including high cost, poor stability, and difficulties in recovery. Herein, with inspiration from…
Water pollution has become a global problem. Sources of wastewater majorly include industrial and commercial sectors. To cater to the exponential increase in clean water, efficient technologies are needed to treat wastewater. Several…
The flow-driven transport of interacting micron-sized particles occurs in many soft matter systems spanning from the translocation of proteins to moving emulsions in microfluidic devices. Here we combine experiments and theory to…