Density functional theory
Researchers at the Department of Chemistry in Telangana, India, have made a groundbreaking discovery in the field of hydrogen storage. According to their study, published in the journal Computational and Theoretical Chemistry, a star-like planar pentacoordinate carbon (ppC) superalkali cluster CBe5Li5+ has been found to have a high hydrogen storage
Density functional theory
Recent research on MXene quantum dots (MXQDs) has shed light on the crucial role of surface functionalization and quantum dot size in determining their electronic and optical properties. Conducted by researchers from the University of Ostrava, the study employed time-dependent density functional theory to investigate the effects of surface terminations
Density functional theory
Puzzling anomaly in the charge radii of Ca isotopes has been puzzling nuclear theory for decades. According to a new study published in Physical Review C, researchers from Jilin University have finally found a self-consistent solution within the density functional theory without resorting to local parameter adjustment. By considering the
Density functional theory
Scientists at Tsinghua University have made a significant discovery in the field of lithium battery research, developing a reactivity-guided screening strategy to identify electrolyte additives that promote robust, inorganic-rich electrode-electrolyte interphases. This breakthrough has the potential to enhance battery performance for high-voltage and high-temperature operational conditions. The research, supported by
Density functional theory
Researchers at the Department of Chemistry in Telangana, India, have made a groundbreaking discovery in the field of hydrogen storage. According to their study, published in the journal Computational and Theoretical Chemistry, a star-like planar pentacoordinate carbon (ppC) superalkali cluster CBe5Li5+ has been found to have a high hydrogen storage
Density functional theory
Scientists at Tsinghua University have made a significant discovery in the field of lithium battery research, developing a reactivity-guided screening strategy to identify electrolyte additives that promote robust, inorganic-rich electrode-electrolyte interphases. This breakthrough has the potential to enhance battery performance for high-voltage and high-temperature operational conditions. The research, supported by
Density functional theory
Researchers at the Department of Chemistry in Telangana, India, have made a groundbreaking discovery in the field of hydrogen storage. According to their study, published in the journal Computational and Theoretical Chemistry, a star-like planar pentacoordinate carbon (ppC) superalkali cluster CBe5Li5+ has been found to have a high hydrogen storage
Density functional theory
Researchers at Mohammed V University Rabat have utilized density functional theory to examine the photovoltaic, photocatalytic, and thermoelectric performance of five multifunctional vacancy-ordered double perovskites: Cs2TiI6, Cs2GeI6, Cs2SeI6, Cs2SnI6, and Cs2TeI6. The study found that these materials have promising prospects for next-generation energy solutions, with Cs2TiI6 being a good choice
Density functional theory
Scientists at Tsinghua University have made a significant discovery in the field of lithium battery research, developing a reactivity-guided screening strategy to identify electrolyte additives that promote robust, inorganic-rich electrode-electrolyte interphases. This breakthrough has the potential to enhance battery performance for high-voltage and high-temperature operational conditions. The research, supported by
Sensors
Researchers at Islamic Azad University in Karaj, Iran, have made significant progress in developing a new sensing technology using metal-porphyrin-functionalized carbon nanocones. According to a study published in the journal Computational and Theoretical Chemistry, these nanocones have shown great potential in detecting toxic gases, such as phosgene (COCl2). The researchers
Nanotubes
Research conducted by investigators from the Azerbaijan State Oil and Industry University has led to a significant breakthrough in the field of nanotechnology. According to a report published in Nanotechnology Weekly, researchers have discovered that single-walled SiC nanotubes doped with gold exhibit ferromagnetic behavior, characterized by a semiconducting majority spin
Density functional theory
Researchers from Chaudhary Devi Lal University have made a significant breakthrough in the field of electronics by investigating the electrical and magnetic characteristics of chromium phosphide (CrP) doped with transition metal atoms such as manganese (Mn) and iron (Fe). According to the study, the introduction of these dopants has led
