Article
Chemistry, Inorganic & Nuclear
Gregory M. George, Peter T. Wolczanski, Thomas R. Cundari, Samantha N. MacMillan
Summary: The two-orbital, two-electron, four-state paradigm was applied to 1.1.1-propellane with an unusual "inverted" central bond, indicating that an electrophilic metal center can activate it towards ring opening. Low-valent, early-metal complexes resulted in different reactions, with facile ring opening in some cases and radical-like dimerization in others. High-level calculations provided a rationale for the trichotomy in reactivity observed in the experiments.
Article
Chemistry, Multidisciplinary
Wei-Qiang Zhang, Harry W. T. Morgan, John E. McGrady, Zhong-Ming Sun
Summary: This paper demonstrates the use of binary crown clusters [M@As-8](3-) (M = Nb, Ta) as synthetic precursors, which, when combined with ZnMes(2), generate ternary intermetalloid clusters {M@[As-8(ZnMes)(4)]}(3-) (M = Nb, Ta) with 12-vertex cages. Structural studies, mass spectrometry, and DFT analysis of the electronic structure complement the synthesis. The synthesis of these clusters provides new opportunities for the construction of As-based nanomaterials.
Article
Chemistry, Inorganic & Nuclear
Wei-Qiang Zhang, Harry W. T. Morgan, Cong-Cong Shu, John E. McGrady, Zhong-Ming Sun
Summary: This study demonstrates the synthesis of [Nb@As8]3- anions and its isostructural precursors combined with low-valent late transition metals to generate ternary polyarsenide cluster anions with unique structural motifs. These cluster anions comprise a fusion of two distinct branches of polyarsenide chemistry, providing a new entry point for the rational design of multinary arsenic-based materials.
INORGANIC CHEMISTRY
(2022)
Article
Physics, Multidisciplinary
Yifan Han, Yue Shang, Wenhui Wan, Yong Liu, Yanfeng Ge
Summary: The study investigates the phonon-mediated superconductivity in 2D metal borides (MB4) using first-principles calculations. It analyzes the electron-phonon coupling and superconductivity of AB-stacked MBenes and finds that NbB4 has the highest superconducting transition temperature of 35.4 K. The study expands the 2D superconducting boride family, which is of great significance for the study of 2D superconductivity.
NEW JOURNAL OF PHYSICS
(2023)
Article
Chemistry, Inorganic & Nuclear
Gregory M. M. George, Peter T. T. Wolczanski, Samantha N. N. MacMillan
Summary: This article presents the metathetical syntheses of a series of complexes and X-ray structural studies of some of them. However, the reactivity of these complexes towards 1.1.1propellane and 1,3-dehydroadamantane did not yield the expected results. The best outcome observed was catalytic ring-opening to 3-exo-methylene cyclobutylidene.
Article
Chemistry, Physical
Hedda Oschinski, Angel Morales-Garcia, Francesc Illas
Summary: Through first-principles calculations based on the density functional theory, the study demonstrates that MXenes are suitable substrates for anchoring single-metal atoms, allowing the tuning of properties of M@MXene and the control of its charge state. Zn atoms anchored on MXenes appear as potential candidates for single-atom catalysts, providing a rational guide for designing new SAC catalysts based on MXenes.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Wenna Jiao, Junwei Miao, Yiping Lu, Xiaohu Chen, Zheng Ren, Guomao Yin, Tingju Li
Summary: Recently, a modified simple mixture method was proposed to design eutectic high-entropy alloys (EHEAs) containing more than five elements. Four novel six-element and seven-element EHEAs were designed and prepared, demonstrating the validity and accuracy of this method. The two seven-element EHEAs exhibited peak strengths of 592 and 660 MPa at 1073 K, surpassing most reported EHEAs and even some refractory high-entropy alloys (RHEAs). This study provides a significant paradigm for designing EHEAs with more than five elements.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Alexander B. Weberg, Subhajyoti Chaudhuri, Thibault Cheisson, Christian Uruburo, Ekaterina Lapsheva, Pragati Pandey, Michael R. Gau, Patrick J. Carroll, George C. Schatz, Eric J. Schelter
Summary: Niobium and tantalum are difficult to separate due to their similar properties, with the current industrial method being energy-intensive and toxic. Developing alternative methods for environmentally friendly purification of these metals is important for technological advancement.
Article
Chemistry, Multidisciplinary
Yanan Huang, Jibing Shen, Shuai Lin, Wenhai Song, Xuebin Zhu, Yuping Sun
Summary: In this study, three different defect-free few-layer M4C3Tx (M = V, Nb, Ta) nanosheets were successfully obtained by a universal synthesis strategy of calcination, selective etching, intercalation, and exfoliation. Comprehensive characterizations confirmed their defect-free few-layer structure, large interlayer spacing, types of functional groups, and abundant valance states. M4C3Tx (M = V, Nb, Ta) free-standing films derived from these nanosheets exhibited good hydrophilia, high thermostability, and conductivity. This work not only provides detailed guidelines for the synthesis of other defect-free few-layer MXenes nanosheets, but also encourages extensive functional explorations for M4C3Tx (M = V, Nb, Ta) MXenes nanosheets in the future.
Article
Chemistry, Inorganic & Nuclear
Yadong Zhou, Yanhong Wang, Jiaojiao Cao, Zhuo Zeng, Taiping Zhou, Rongzhen Liao, Tao Wang, Zhenxing Wang, Zhengcai Xia, Zhongwen Ouyang, Hongcheng Lu
Summary: Two cobalt oxyfluoride antiferromagnets were synthesized and characterized, showing no long-range antiferromagnetic order until low temperatures due to low dimensionality and frustrated triangular lattice. Spin flop transitions and zero-field spin gaps were observed at low temperatures, with high field magnetization measurements confirming the presence of Co2+ ions with pseudospin spin of 1/2.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Yu Zhang, Yuan Yuan, Jie Cai, Hao Dong, Xin Zhou
Summary: Sr2Nb2O7 and Sr2Ta2O7 with layered perovskite structures are capable of photocatalytic water splitting in the ultraviolet region, which can be enhanced by loading NiO as a cocatalyst. Density functional theory calculations reveal that NiO strongly adsorbs on the semiconductor surfaces of Sr2M2O7 (010) (M = Nb and Ta). NiO acts as the active site for the water oxidation reaction, facilitating the transfer of photoinduced holes from the surface. The formation of interfacial structures between NiO and Sr2M2O7 (010) surfaces has minimal influence on the absorption edge, and H2O tends to molecularly adsorb on the bare surfaces.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Nanoscience & Nanotechnology
Y. P. Wang, Z. S. Li, X. R. Cao, S. Q. Wu, Z. Z. Zhu
Summary: In this study, two-dimensional MSi2P4 (M = V, Nb, and Ta) monolayers were proposed as sulfur hosts to improve the performance of Li-S batteries. It was found that the MSi2P4 monolayers effectively inhibited the shuttle effect and dissolution of lithium polysulfides. The monolayers also exhibited excellent electrocatalytic activity, leading to fast redox kinetics and high sulfur utilization in Li-S batteries.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Luo Yan, Bao-Tian Wang, Xingyong Huang, Qiaoqiao Li, Kui Xue, Jing Zhang, Wencai Ren, Liujiang Zhou
Summary: This study investigates the superconducting properties of single-layer transition metal di-nitrides, and proposes enhancement strategies through surface passivation and light atom substitution. The findings provide insights into tuning superconductivity and suggest a promising pathway for next-generation nanoelectronics with 2D superconductors.
Article
Chemistry, Inorganic & Nuclear
Sylvia Lorraine Kunz, Thomas Bredow
Summary: Transition metal oxide phosphates MOPO4 have been studied systematically to predict their stability and polymorph formation. Computational methods were used to calculate bond strengths, vibrational frequencies, and crystal orbital Hamilton populations. The predicted polymorphs were in agreement with experimental observations, except for MoOPO4 and SbOPO4.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Yuan Yuan, Xue Han, Hao Dong, Xin Zhou
Summary: In this study, the effects of doping chalcogen elements on the properties of Sr2M2O7 crystals were analyzed using theoretical calculations. The results indicate that the more stable doping sites of chalcogens result in less distortion of the lattice. The formation energies of the dopants follow the order S < Se < Te, indicating increasing difficulty in doping. Doping chalcogens leads to a narrowing of the band gap and potential for photocatalytic reactions.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Elliott B. Hulley, Spencer P. Heins, Peter T. Wolczanski, Kyle M. Lancaster, Emil B. Lobkovsky
Article
Chemistry, Inorganic & Nuclear
Travis J. Morrow, Jordan R. Gipper, William E. Christman, Navamoney Arulsamy, Elliott B. Hulley
Article
Chemistry, Physical
Andrew Smith, Henry Wladkowski, Zachary H. Hecht, Yuqi She, Subash Kattel, Piumi Samarawickrama, Sarah R. Rich, Joseph R. Murphy, Jifa Tian, John F. Ackerman, William D. Rice, Elliott B. Hulley, Brian M. Leonard
CHEMISTRY OF MATERIALS
(2020)
Article
Chemistry, Medicinal
Grant C. Glatfelter, Eline Pottie, John S. Partilla, Alexander M. Sherwood, Kristi Kaylo, Duyen N. K. Pham, Marilyn Naeem, Vamshikrishna Reddy Sammeta, Stacie DeBoer, James A. Golen, Elliott B. Hulley, Christophe P. Stove, Andrew R. Chadeayne, David R. Manke, Michael H. Baumann
Summary: 4-Phosphoryloxy-N,N-dimethyltryptamine (psilocybin), a naturally occurring substance found in mushrooms, induces psychedelic effects through its activity at the 5-HT2A receptor. This study explored the structure-activity relationships of psilocybin and its analogues, revealing their affinity and efficacy at various 5-HT receptor subtypes. Psilocybin and its analogues were found to induce head twitch responses and decrease body temperature and locomotor activity. The phosphoryloxy analogues showed weaker pharmacological effects. Psilacetin, a prodrug for psilocin, displayed significant serotonin receptor activities of its own.
ACS PHARMACOLOGY & TRANSLATIONAL SCIENCE
(2022)
Article
Chemistry, Inorganic & Nuclear
Rabina Pradhan, Kaylaa L. Gutman, Abu Mas Ud, Elliott B. Hulley, Kristopher V. Waynant
Summary: Coordination complexes were synthesized using azothioformamide (ATF) ligands and Cu(I) salts. These complexes were then used as catalysts for the insertion of carbon dioxide into terminal alkynes. Optimal catalytic conditions were achieved using a specific Cu(I) dimer and Cs2CO3 as the base under specific temperature and pressure conditions. The reaction yield ranged from 47% to 99% for various substrates, and a proposed mechanism along with likely intermediates was provided.
Article
Chemistry, Multidisciplinary
Jonathan A. Kephart, Zachary Hecht, Brooke N. Livesay, Indrani Bhowmick, Matthew P. Shores, V. Codrina Popescu, Navamoney Arulsamy, Elliott B. Hulley
CHEMICAL COMMUNICATIONS
(2020)
Meeting Abstract
Chemistry, Multidisciplinary
Rachel Tenney, William Christman, Navamoney Arulsamy, Elliott Hulley
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
Meeting Abstract
Chemistry, Multidisciplinary
Elliott Hulley, Travis Morrow, Jordan Gipper
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
Meeting Abstract
Chemistry, Multidisciplinary
Elliott Hulley, William Christman, Rachel Tenney
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
Article
Chemistry, Inorganic & Nuclear
Levente G. Pap, Adam Couldridge, Navamoney Arutsamy, Elliott Hulley
DALTON TRANSACTIONS
(2019)
Meeting Abstract
Chemistry, Multidisciplinary
Levente Pap, Navamoney Arulsamy, Elliott Hulley
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
Meeting Abstract
Chemistry, Multidisciplinary
Travis Morrow, Elliott Hulley, Navamoney Arulsamy
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
Meeting Abstract
Chemistry, Multidisciplinary
Zachary Hecht, Jonathan Kephart, Navamoney Arulsamy, Brooke Livesay, Matthew Shores, Codrina Popescu, Elliott Hulley
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
Meeting Abstract
Chemistry, Multidisciplinary
Elliott Hulley, Travis Morrow, William Christman, Levente Pap, Navamoney Arulsamy
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
Meeting Abstract
Chemistry, Multidisciplinary
William Christman, Travis Morrow, Navamoney Arulsamy, Elliott Hulley
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)