相关论文: Combinatorial approach to bulk detector material e…
Sliding of two-dimensional materials is critical for their application as solid lubricants for space, and also relevant for strain engineering and device fabrication. Dopants such as Ni surprisingly improve lubrication in MoS$_2$, despite…
Aerial source detection systems have the capability to rapidly provide radiological data over a large area of land. Sodium Iodine (NaI) scintillator based aerial radiation detection systems of compact physical sizes have the potential aid…
Intensity-modulated proton therapy (IMPT) offers superior dose conformity with reduced exposure to surrounding healthy tissues compared to conventional photon therapy. Improving IMPT delivery efficiency reduces motion-related uncertainties,…
Luminescence in Eu$^{2+}$ activated materials corresponds to a transition from an excited state where the lowest Eu 5$d$ level is filled with one electron (often called the (Eu$^{2+}$)$^*$ state) to the ground state with half-filled 4$f$…
0.5BiNdxFe1-xO3-0.5PbTiO3 (x=0.05, 0.10, 0.15, 0.20) composites were successfully synthesized by a solid state reaction technique. At room temperature X-ray diffraction shows tetragonal structure for all concentrations of Nd doped…
Scintillating homogeneous detectors represent the state of the art in electromagnetic calorimetry. Moreover, the currently neglected crystalline nature of the most common inorganic scintillators can be exploited to achieve an outstanding…
Oxynitrides are used in a variety of applications including photocatalysts, high-k dielectrics or wear-resistant coatings and often show intriguing multi-functionality. To accelerate the co-optimization of the relevant material properties…
Computational exploration of the compositional spaces of materials can provide guidance for synthetic research and thus accelerate the discovery of novel materials. Most approaches employ high-throughput sampling and focus on reducing the…
Despite significant potential as energy storage materials for electric vehicles due to their combination of high energy density per unit cost and reduced environmental and ethical concerns, Co-free lithium ion batteries based off layered Mn…
This paper presents a comprehensive optimisation study to maximise the light collection efficiency of scintillating cube elements used in the SoLid detector. Very short baseline reactor experiments, like SoLid, look for active to sterile…
The integration of machine learning techniques with triboelectric nanogenerators (TENGs) offers a transformative pathway for optimizing energy harvesting technologies. In this study, we propose a comprehensive framework that utilizes graph…
Neutrino and dark matter experiments with large-volume ($\gtrsim 1$ ton) detectors can provide excellent sensitivity to signals induced by energetic light dark matter coming from the present universe. Taking boosted dark matter as a…
We report a detailed first-principles study of doping in Li$_2$MnO$_3$, in both the dilute doping limit and heavy doping, using hybrid density-functional calculations. We find that Al, Fe, Mo, and Ru impurities are energetically most…
We report the electrochemical investigation and study the diffusion kinetics of boron doped Na$_{0.66}$Mn$_{0.8}$Fe$_{0.2}$O$_{2}$ (B-NMFO) cathode materials for sodium-ion batteries. Notably, the B-NMFO cathode exhibits improved specific…
In Particle and Nuclear Physics research and related applications, organic scintillators provide a cost-effective technology for the detection of ionising radiation. The next generation of experiments in this field is driving fundamental…
In this paper several designs to maximize the absorption efficiency of superconducting-nanowire single-photon detectors are investigated. Using a simple optical cavity consisting of a gold mirror and a SiO2 layer, the absorption efficiency…
We introduce Effective Atom Theory (EAT), a framework that transforms combinatorial materials design into a smooth, gradient-driven optimization within density functional theory (DFT). Atoms are represented as probabilistic mixtures of…
The preparation method of thermoelectric PbTe-CdTe semiconductor nanocomposite in the form of a bulk material doped with Bi, I or Na, intended for production the mid-temperature thermoelectric energy generators is presented. The method…
Complex doping schemes in RE$_3$Al$_5$O$_{12}$ (RE=rare earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium…
We search for new superhard B-N-O compounds with an iterative machine learning (ML) procedure, where ML models are trained using sample crystal structures from evolutionary algorithm. We first use cohesive energy to evaluate the…