Article
Multidisciplinary Sciences
Sae Hee Ryu, Minjae Huh, Do Yun Park, Chris Jozwiak, Eli Rotenberg, Aaron Bostwick, Keun Su Kim
Summary: The research reports the observation of an unusual band structure at the interface between a crystalline solid (black phosphorus) and disordered alkali-metal dopants. It shows that the depth of the potential tuned by different types of disordered alkali metals leads to the classification of the pseudogap of p-wave and d-wave resonance. These findings may provide insights into the spectrum of various crystalline insulators doped by disordered dopants.
Article
Chemistry, Multidisciplinary
Vladimir G. G. Kuznetsov, Anton A. A. Gavrikov, Milos Krbal, Vladimir A. A. Trepakov, Alexander V. V. Kolobov
Summary: Crystalline transition-metal chalcogenides are extensively studied, while there is limited understanding of amorphous chalcogenides doped with transition metals. To fill this knowledge gap, we conducted first principle simulations to investigate the effect of transition metal doping on the typical chalcogenide glass As2S3. Our results show that doping leads to a transformation from a semiconductor to a metal, with the appearance of magnetic properties. This opens up the possibility of chalcogenide glasses doped with transition metals becoming a technologically important material.
Article
Chemistry, Multidisciplinary
Amit Pokhriyal, Abyay Ghosh, Haranath Ghosh
Summary: We investigate the electronic structure of electron doped 12442-type iron based BaTh2Fe4As4(N1-xOx)2 compounds (x = 0.1-0.6) in detail using Density Functional Theory (DFT) calculations. The absence of As-4pZ orbital character and dominant contributions from Fe-3d orbitals are noted, contrary to many iron-based superconducting compounds. The most stable structure is found to be x = 0.3, consistent with experimental observations. Our calculations predict the ground state magnetic structure to be stripe antiferromagnetic (AFM) when magnetic order is incorporated at Fe sites in compound x = 0.3. The calculated Arsenic height from the Fe square plane (hAs) matches well with experimental results. An important finding is the prediction of a Lifshitz transition at the same doping level (x = 0.6) for which the highest critical temperature is reported in literature. Detailed analysis of the electronic structure, such as estimating the radii of Fermi pockets and determining the orbital characters of Fermi surfaces, leads to the prediction of mixed d and s pairing symmetry.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2023)
Article
Materials Science, Multidisciplinary
Johanna P. Carbone, Dongwook Go, Yuriy Mokrousov, Gustav Bihlmayer, Stefan Bluegel
Summary: Motivated by recent progress in two-dimensional spintronics, this study presents a promising platform for engineering spin-orbit effects and Berry curvature by depositing a monolayer of Europium on 1H-WSe2. First-principles calculations based on density functional theory reveal intriguing properties such as high magnetic anisotropy, valley-dependent polarization of spin and orbital angular momenta, and Rashba textures in Eu/WSe2. These properties originate from magnetic and spin-orbit proximity effects and the interplay between localized 4 f magnetic moments of Eu and mobile charge carriers of Eu and WSe2. The study suggests that depositing 4 f rare-earth metals on transition-metal dichalcogenides can be a promising platform for two-dimensional spintronics.
Article
Physics, Multidisciplinary
Alexandru B. Georgescu, Andrew J. Millis
Summary: Determining the dominant contribution in phase transitions involving structural and electronic changes has been challenging. In this study, a general formalism is introduced to address this problem and is applied to metal-insulator transitions in two material families. The results reveal that electron-lattice coupling is key to stabilizing the insulating state in both rare-earth perovskite nickelates (RNiO3) and Ruddlesden-Popper calcium ruthenates (Ca2RuO4).
COMMUNICATIONS PHYSICS
(2022)
Article
Chemistry, Physical
Jan Vanbuel, Piero Ferrari, Meiye Jia, Andre Fielicke, Ewald Janssens
Summary: The interaction of argon with doubly transition metal doped aluminum clusters was studied experimentally and theoretically. It was found that the argon affinity of the clusters depends on the transition metal dopant, and a pronounced drop in reactivity was observed at a certain cluster size regardless of the dopant element. The analysis of cluster orbitals suggests that this change in reactivity is electronic in nature rather than due to cage formation.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Lin Zhang, Zhen Cui
Summary: Nine different non-metals doped silicon carbide (NM-SiC) configurations were studied using density functional theory. The properties of NM-SiC, including magnetic, electronic, and optical behaviors, were investigated. The results showed that different dopants could modify the magnetic, electronic band structure, and absorption spectrum of SiC.
FRONTIERS IN CHEMISTRY
(2022)
Article
Multidisciplinary Sciences
Zheng-Da He, Rebekka Tesch, Mohammad J. Eslamibidgoli, Michael H. Eikerling, Piotr M. Kowalski
Summary: The doping of Fe at low concentrations enhances the electrocatalytic performance of NiOOH for the oxygen evolution reaction (OER). The existence of Fe in a low-spin state explains the large solubility limit of Fe and similarity of FeO and Ni-O bond lengths in the Fe-doped NiOOH phase. The transition from low-spin to high-spin state at around 25% Fe concentration is consistent with the experimentally determined solubility limit of Fe in NiOOH. The computed thermodynamic overpotentials for doped and pure materials are in good agreement with the measured values, indicating the key role of the low-spin state of Fe in the OER activity of Fe-doped NiOOH electrocatalysts.
NATURE COMMUNICATIONS
(2023)
Article
Engineering, Environmental
Fenyang Tian, Shuo Geng, Lin He, Yarong Huang, Akhmat Fauzi, Weiwei Yang, Yequn Liu, Yongsheng Yu
Summary: Transition metal phosphides, specifically PSS-PPy/Ni-Co-P, have been shown to exhibit highly efficient hydrogen evolution reaction performance in neutral-pH electrolyte, with remarkable activity and stability achieved through conductivity, hydrophilicity, and electronic structure optimization. This research paves the way for the design of low-cost, high-efficiency, and stable electrocatalysts for HER in neutral-pH electrolyte.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Physical
L. Havela
Summary: This paper provides a brief overview of the impact of hydrogen presence in metallic systems on magnetic properties, emphasizing the differences between different systems and using materials with similar crystal structures for comparison. The analysis is based on general aspects of hydrogen bonding in a metallic environment, hydrogen expanding volume, and polar bonding of hydrogen. Electronegativity is used as a convenient indicator quantifying the polar bonding character.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Multidisciplinary Sciences
Erik C. Nykwest, Dennis Trujillo, S. Pamir Alpay
Summary: The study demonstrates that inducing magnetism at alumina surfaces can be achieved through doping with 3d transition metals, resulting in different levels of spin magnetic moments. All dopants except Sc produce magnetic moments concentrated at the surface with varying degrees of delocalization. By judiciously doping with select 3d transition metals, the surface of alumina can be made magnetic, potentially enabling novel applications in data storage, catalysis, and biomedical engineering.
SCIENTIFIC REPORTS
(2021)
Article
Multidisciplinary Sciences
Nathan Dasenbrock-Gammon, Elliot Snider, Raymond McBride, Hiranya Pasan, Dylan Durkee, Nugzari Khalvashi-Sutter, Sasanka Munasinghe, Sachith E. E. Dissanayake, Keith V. V. Lawler, Ashkan Salamat, Ranga P. P. Dias
Summary: By studying a nitrogen-doped lutetium hydride, we have discovered a superconductor with a maximum critical superconducting transition temperature (T-c) of 294 K, which means superconductivity at room temperature and near-ambient pressures.
Article
Chemistry, Multidisciplinary
Min Wang, Tianlong Feng, Jie Ren, Leyuan Gao, Hui Li, Zhi Hao, Yunliang Yue, Tiege Zhou, Denglu Hou
Summary: The electronic structure and magnetic properties of SnO2 (001) surface doped with nonmetals (C or N) and transition metals (Co or Ni) were investigated. Nonmetal doping introduced spin-splitting defect states in the band gap, while transition metal doping resulted in magnetic moments in the system. Co-Co exhibited ferromagnetic coupling, while C-C, N-N, and Ni-Ni were dominated by antiferromagnetic coupling.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Materials Science, Multidisciplinary
A. Singh, H. Y. Huang, Christopher Lane, J. H. Li, J. Okamoto, S. Komiya, Robert S. Markiewicz, Arun Bansil, T. K. Lee, A. Fujimori, C. T. Chen, D. J. Huang
Summary: The layered crystal structures of cuprates exhibit unique charge excitations different from three-dimensional metals. Acoustic plasmons have been observed in electron-doped cuprates, but their existence in hole-doped cuprates is still debated. In this study, resonant inelastic x-ray scattering measurements and calculations were conducted to investigate the charge excitations of hole-doped cuprate La2−xSrxCuO4. The results provide evidence for the acoustic plasmons of Zhang-Rice singlet and suggest that the metallic behavior is attributed to the movement of Zhang-Rice singlet rather than simple hopping of oxygen holes.
Article
Biochemistry & Molecular Biology
Yawen Hua, Meidie Wu, Qin Qin, Siqi Jiang, Linlin Chen, Yiliang Liu
Summary: The influence of doping Sr atoms on the structural, magnetic, and electronic properties of NdSrNiO2 was studied. The results showed that the substitution of Sr decreased the magnetic moments and affected the orbital structure near the Fermi level. Sr atoms primarily interact weakly with O atoms and primarily contribute to building the infinite-layer structure of the material.
Article
Chemistry, Physical
Egor A. Kolesov, Mikhail S. Tivanov, Olga V. Korolik, Olesya O. Kapitanova, Hak Dong Cho, Tae Won Kang, Gennady N. Panin
Article
Materials Science, Ceramics
Sunil Kumar, Anita Jain, Sanjay Panwar, Indu Sharma, Hee Chang Jeon, Tae Won Kang, Ravi Kant Choubey
INTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY
(2019)
Article
Chemistry, Multidisciplinary
Vijay Kumar, Kapil Kumar, H. C. Jeon, T. W. Kang, Dongjin Lee, Sunil Kumar
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2019)
Article
Chemistry, Physical
G. Mohan Kumar, H. D. Cho, P. Ilanchezhiyan, C. Siva, V. Ganesh, Sh. Yuldashev, A. Madhan Kumar, T. W. Kang
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2019)
Article
Engineering, Electrical & Electronic
Sunil Kumar, Tae Won Kang, Seung Joo Lee, Shavkat Yuldashev, Shalini Taneja, Shelza Banyal, Manju Singhal, Gajanan Ghodake, H. C. Jeon, Deuk Young Kim, Ravi Kant Choubey
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2019)
Article
Physics, Multidisciplinary
Ziyodbek A. Yunusov, Shavkat U. Yuldashev, Tae Won Kang, Seung Joo Lee, Young Hae Kwon, Hee Chang Jeon
JOURNAL OF THE KOREAN PHYSICAL SOCIETY
(2019)
Article
Energy & Fuels
P. Ilanchezhiyan, G. Mohan Kumar, Fu Xiao, C. Siva, Shavkat U. Yuldashev, D. J. Lee, H. C. Jeon, T. W. Kang
SOLAR ENERGY MATERIALS AND SOLAR CELLS
(2019)
Article
Chemistry, Multidisciplinary
Dong Jin Lee, G. Mohan Kumar, P. Ilanchezhiyan, Fu Xiao, Sh U. Yuldashev, Yong Deuk Woo, Deuk Young Kim, Tae Won Kang
Article
Orthopedics
T. -W. Kang, J. -H. Lee, D. -H. Park, H. -S. Cynn
HAND SURGERY & REHABILITATION
(2019)
Correction
Physics, Multidisciplinary
V. K. Magotra, H. C. Jeon, S. Kumar, T. W. Kang, S. J. Lee, S. H. Park, N. Myoung
JOURNAL OF THE KOREAN PHYSICAL SOCIETY
(2020)
Article
Physics, Multidisciplinary
Hee Chul Park, Minsol Son, Seung Joo Lee, Nojoon Myoung
Summary: This study examines the effects of strain-induced pseudo-magnetic fields from nanobubbles on graphene, demonstrating strong confinement of Dirac fermions and formation of graphene quantum dots. The presence of characteristic PMFs with C-3 symmetry leads to threefold localized states in the graphene. The study also shows the possibility of valley-polarization in graphene quantum dots through quantum interference between different valley-coupled modes.
JOURNAL OF THE KOREAN PHYSICAL SOCIETY
(2021)
Article
Thermodynamics
Verjesh Kumar Magotra, T. W. Kang, D. Y. Kim, Akbar I. Inamdar, Pundalik D. Walke, S. J. Lee, Harish S. Chavan, Avinash A. Kadam, Hyunsik Im, H. C. Jeon
Summary: This study demonstrates the use of cow dung compost as a biocatalyst to optimize urea fuel concentrations in CC-MFCs, with the results showing that the highest power density is achieved at a urea fuel concentration of 0.4 g/ml. The bacterial population is crucial for electricity generation, and regular refuelling with the catalyst is necessary for cell sustainability and operation.
Article
Green & Sustainable Science & Technology
Verjesh Kumar Magotra, S. J. Lee, Akbar I. Inamdar, T. W. Kang, Pundalik D. Walke, Stephanie C. Hogan, D. Y. Kim, Ganesh D. Saratale, Rijuta G. Saratale, Anwesha Purkayastha, H. C. Jeon
Summary: The paper focuses on fabricating a white cement brick fuel cell (WC-BFC) using agricultural waste rice husk ash (RHA) for sustainable power generation. Steel is an essential material used in concrete for long decades and the brick cost depends on the type of electrode used for brick fabrication. Ammonium chloride was used as fuel with regular intervals of time for WC-BFC, generating significant power density.
Article
Chemistry, Multidisciplinary
Verjesh Kumar Magotra, Seung Joo Lee, Tae Won Kang, Akbar I. Inamdar, Deuk Young Kim, Hyunsik Im, Hee Chang Jeon
Summary: This study demonstrates the use of compost soil as a novel electrocatalyst for ammonium degradation and high-power generation, with optimal performance achieved with potassium ferricyanide as the reducing agent. CS-AFCs show sustained operation for hours without catalyst deactivation, requiring refueling every 12 hours for optimal performance.
Article
Materials Science, Multidisciplinary
Nojoon Myoung, Jung-Wan Ryu, Hee Chul Park, Seung Joo Lee, Sungjong Woo
