Article
Chemistry, Multidisciplinary
Dylan G. Boucher, Kara Kearney, Elif Ertekin, Michael J. Rose
Summary: The efficiency of photoelectrochemical (PEC) devices depends heavily on the energetics and band alignment of the semiconductor overlayer junction, which can be controlled through molecular functionalization. By covalently attaching aryl surface modifiers, high-fidelity surfaces with low defect densities were achieved, resulting in systematically shifted band edges and high photoelectrochemical performance. DFT calculations showed that the organic-functionalized interfaces effectively hybridized with the silicon band edges, introducing a positive interfacial dipole and decreasing the potential drop across the semiconductor.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
I. Morawski, M. Nowicki
Summary: The multiple scattering formalism is used to describe the scattering events of primary electron beams in crystalline solids, resulting in theoretical distributions of elastically backscattered electrons and Auger electrons. Numerical calculations reveal characteristic intensity maxima and bands associated with crystalline directions and planes. The effects of sample structure, atomic scattering properties, lattice parameters, layer location, and sample chemical composition are discussed. The short range order structural information can be applied in modeling heterostructures and calculating signal distributions.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Jianmei Huang, Qiang Wang, Pengfei Liu, Guang-hui Chen, Yanhui Yang
Summary: The study demonstrated that the interaction strength and interface distance of Gr/h-BN/metal can be tuned by regulating the chemical composition of the surface alloy. The absorption behavior of graphene on h-BN/Cu(111)-Ni and h-BN/Ni(111)-Cu interfaces varied significantly with different Ni/Cu atomic percentages.
Article
Chemistry, Physical
Kyuhwe Kang, Gyung-Min Choi
Summary: In this study, the electron-phonon coupling (g) parameters of ferromagnetic 3d transition metal layers Fe and Co were investigated using time-domain thermoreflectance. The results indicate that these transition metals have similar g values, on the order of 10^18 W m(-3) K-1.
Article
Physics, Multidisciplinary
Sergey Trishin, Christian Lotze, Nils Bogdanoff, Felix von Oppen, Katharina J. Franke
Summary: Monolayers of MoS2 on a Au(111) surface form a controllable coupling with Fe adatoms, allowing for tuning of spin behavior and exchange effects. There are significant spectral variations in the vicinity of Fe atoms due to the formation of Fe-S hybrid states.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Physical
Angelika Demling, Sarah B. King, Philip Shushkov, Julia Staehler
Summary: To understand electro-chemical O2 reduction in nonaqueous solvents, two-photon photoelectron spectroscopy was used to investigate O2 reduction dynamics at a DMSO/Cu(111) interface. The formation of O2- from a trapped electron state at the DMSO/vacuum interface was observed. The results provide valuable data for future calculations on electron transfer kinetics and evaluation of electrochemical side reactions.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Meysoun Jabrane, Mohamed ElHafidi, Moulay Youssef El Hafidi, Abdelkader Kara
Summary: Metal-Phthalocyanine (MPc) is a macrocyclic planar organo-metallic molecule that can be used in various applications at low cost. FePc bulk system displays a magnetic state, but loses magnetization when adsorbed on Cu(111) or Ag(111) surfaces. The adsorption is a strong chemisorption type with relatively large binding energy and charge transfer.
Article
Chemistry, Inorganic & Nuclear
Yu-Meng Zhao, Jia-Ping Wang, Xiang-Yi Chen, Meng Yu, Alyona A. Starikova, Jun Tao
Summary: The reaction of a non-innocent ligand with cobalt resulted in a series of dinuclear cobalt-tetraoxolene compounds, and it was found that two of these compounds exhibited strong ferromagnetic interactions.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Physics, Applied
Minyeong Choi, Yang-Ki Hong, Hoyun Won, Gary J. Mankey, Chang-Dong Yeo, Woncheol Lee, Myung-Hwa Jung, Taegyu Lee, Jong-Kook Lee
Summary: The study demonstrates that rare-earth free ferromagnetic MnBi exhibits a positive temperature coefficient of coercivity, but undergoes a structural phase transformation at high temperatures. By controlling the positioning of copper occupancy, it is possible to effectively suppress Mn diffusion and raise the temperature of the phase transformation.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Chemistry, Inorganic & Nuclear
Massine Kelai, Benjamin Cahier, Mihail Atanasov, Frank Neese, Yongfeng Tong, Luqiong Zhang, Amandine Bellec, Olga Iasco, Eric Riviere, Regis Guillot, Cyril Chacon, Yann Girard, Jerome Lagoute, Sylvie Rousset, Vincent Repain, Edwige Otero, Marie-Anne Arrio, Philippe Sainctavit, Anne-Laure Barra, Marie-Laure Boillot, Talal Mallah
Summary: The study investigated the magnetic anisotropy of Fe[(3,5-(CH3)(2)Pz)(3)BH](2) in its high spin state on Cu(111) through XMCD spectroscopy, revealing the presence of a hard axis of magnetization. It was found that the magnetic anisotropy of the assembled molecules at the substrate/vacuum interface remains unaffected, suggesting the robust nature of the magnetic anisotropy in this compound family.
INORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Multidisciplinary
Qi Wang, Jiacheng Yang, Antoni Franco-Canellas, Christoph Buerker, Jens Niederhausen, Pierre Dombrowski, Felix Widdascheck, Tobias Breuer, Gregor Witte, Alexander Gerlach, Steffen Duhm, Frank Schreiber
Summary: A comprehensive study was conducted on the properties of donor-acceptor (D-A) bilayer structures, revealing that the characteristics of the bilayer structure on Au substrate are independent of the deposition sequence, while strong chemisorption occurs on Cu substrate, pinning down the PEN molecules.
NANOSCALE ADVANCES
(2021)
Review
Chemistry, Physical
Yangyang Zhang, Yajun Zhao, Marshet Getaye Sendeku, Fuhua Li, Jinjie Fang, Yuan Wang, Zhongbin Zhuang, Yun Kuang, Bin Liu, Xiaoming Sun
Summary: A highly active Cu99Ni1 catalyst is developed for the simultaneous electrochemical reduction of nitrite and carbon dioxide to synthesize urea, achieving high selectivity and providing insights into the mechanism of C―N coupling.
Article
Multidisciplinary Sciences
Qing Zhao, John Mark P. Martirez, Emily A. Carter
Summary: This study investigates the mechanism of copper (Cu) in CO2RR electrocatalysis through quantum mechanical calculations and reveals the importance of hydrogenated CO species as precursors for C-C bond formation. These findings contribute to the rational design of efficient and selective CO2RR electrocatalysts.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Multidisciplinary
Ling Chen, Cheng Tang, Yan Jiao, Shi-Zhang Qiao
Summary: Tailoring the copper catalyst morphology by forming nanopyramids offers alternative routes to promote C-2 production, leading to improved C-C coupling behaviors due to the pyramidal effect on under-coordinated Cu (111) surface. This study utilized density functional theory calculations to investigate five polycrystalline Cu nanopyramids with various orientations, shapes, and exposing facets, and developed a new morphology design rule for efficient catalyst development based on the results of C-2 active site screening principle.
Article
Chemistry, Multidisciplinary
Nuha Wazzan
Summary: The investigation focused on the characterization of three phytochemicals found in Allium Jesdianum (AJ) flower for their corrosion inhibition potentials. It was found that Icosan-1-ol (1-Ecosanol) exhibited the best performance in terms of corrosion inhibition.
ARABIAN JOURNAL OF CHEMISTRY
(2023)
Review
Chemistry, Multidisciplinary
Wonhee Ko, Zheng Gai, Alexander A. Puretzky, Liangbo Liang, Tom Berlijn, Jordan A. Hachtel, Kai Xiao, Panchapakesan Ganesh, Mina Yoon, An-Ping Li
Summary: This article reviews the recent progress in understanding the role of heterogeneities in quantum materials and their effects on quantum behaviors. The authors assess three interconnected areas, including revealing the degrees of freedom of heterogeneities, understanding their impact on quantum states, and controlling heterogeneities for new quantum functions.
ADVANCED MATERIALS
(2023)
Article
Physics, Condensed Matter
Guixin Cao, Yakui Weng, Xinyu Yao, T. Zac Ward, Zheng Gai, David Mandrus, Shuai Dong
Summary: We investigate the magnetic and electronic transport properties of Mn-doped LaTi1-xMn(x)O3(x=0,0.1,0.3,0.5) as a function of temperature and an applied magnetic field. Magnetic transition is observed in the doped samples but not in the parent LaTiO3. Fluctuations in magnetization at low fields below the Neel transition temperature suggest electronic phase separation in the material. The increase in Mn content strengthens the ferromagnetic-like moment while maintaining the G-type antiferromagnetic phase through charge transfer and influence on orbital ordering.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Nanoscience & Nanotechnology
Geoffrey M. M. Diederich, John Cenker, Yafei Ren, Jordan Fonseca, Daniel G. G. Chica, Youn Jue Bae, Xiaoyang Zhu, Xavier Roy, Ting Cao, Di Xiao, Xiaodong Xu
Summary: The interaction between different excitations in solids, such as excitons and magnons, has both fundamental interest and technological importance. In this study, the precise control of coherent exciton-magnon interactions in the layered magnetic semiconductor CrSBr was demonstrated. By varying the direction of an applied magnetic field and applying uniaxial strain, the coupling between excitons and magnons and the associated magnon dispersion curves were modulated. These findings provide unprecedented control over opto-mechanical-magnonic coupling and are a step towards implementing hybrid quantum magnonics in a predictable and controllable manner.
NATURE NANOTECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
Fengliang Liu, Yiqing Hao, Jinyang Ni, Yongsheng Zhao, Dongzhou Zhang, Gilberto Fabbris, Daniel Haskel, Shaobo Cheng, Xiaoshan Xu, Lifeng Yin, Hongjun Xiang, Jun Zhao, Xujie Lu, Wenbin Wang, Jian Shen, Wenge Yang
Summary: Hexagonal LuFe2O4 exhibits various charge-ordered phases with different magnetic orders under external pressure. The redistribution of charge density induced by pressure in the frustrated double-layer [Fe2O4] cluster is responsible for the correlated spin-charge phase transitions. Enhanced Coulomb interactions among Fe-Fe bonds drive the frustrated charge order into a less frustrated charge order, leading to the transition from ferrimagnetism to antiferromagnetism. This study not only elucidates the coupling mechanism among charge, spin, and lattice degrees of freedom in LuFe2O4, but also provides a new approach for tuning spin-charge orders.
NPJ QUANTUM MATERIALS
(2023)
Article
Multidisciplinary Sciences
Jiaqi Cai, Eric Anderson, Chong Wang, Xiaowei Zhang, Xiaoyu Liu, William Holtzmann, Yinong Zhang, Fengren Fan, Takashi Taniguchi, Kenji Watanabe, Ying Ran, Ting Cao, Liang Fu, Di Xiao, Wang Yao, Xiaodong Xu
Summary: This study reports experimental evidence of fractional quantum anomalous Hall (FQAH) states in twisted MoTe2 bilayers. By using magnetic circular dichroism measurements and trion photoluminescence as a sensor, the researchers demonstrate the presence of FQAH states by observing the corresponding dispersion curves and linear shifts. These topological states can be electrically driven into topologically trivial states and provide a platform for exploring fractional excitations.
Article
Chemistry, Physical
Xi Wang, Xiaowei Zhang, Jiayi Zhu, Heonjoon Park, Yingqi Wang, Chong Wang, William G. Holtzmann, Takashi Taniguchi, Kenji Watanabe, Jiaqiang Yan, Daniel R. Gamelin, Wang Yao, Di Xiao, Ting Cao, Xiaodong Xu
Summary: The authors report the emergence of intercell moire exciton complexes in H-stacked WS2/WSe2 heterobilayers, where the exciton's hole from the WSe2 layer is surrounded by its bound electron's wavefunction distributed among three adjacent moire traps in the WS2 layer exhibiting an out-of-plane dipole and in-plane quadrupole. This work provides insights into and possibilities for engineering emergent exciton many-body states in correlated moire charge orders.
Article
Physics, Multidisciplinary
Heonjoon Park, Jiayi Zhu, Xi Wang, Yingqi Wang, William Holtzmann, Takashi Taniguchi, Kenji Watanabe, Jiaqiang Yan, Liang Fu, Ting Cao, Di Xiao, Daniel R. Gamelin, Hongyi Yu, Wang Yao, Xiaodong Xu
Summary: Strong dipole-dipole interactions in a moire superlattice form a ground state similar to a Mott insulator, making it a powerful platform for engineering correlated electronic phenomena. Optical excitation generates charge neutral interlayer excitons with an out-of-plane electric dipole. Strong onsite dipole-dipole interaction can create correlated bosonic states, but this has not been proven yet.
Article
Physics, Multidisciplinary
Xiao-Wei Zhang, Yafei Ren, Chong Wang, Ting Cao, Di Xiao
Summary: We have developed a first-principles quantum scheme to calculate the phonon magnetic moment in solids. By studying gated bilayer graphene, a material with strong covalent bonds, we have found significant and tunable phonon magnetic moments contrary to classical theory predictions. Our results emphasize the importance of quantum mechanical treatment and propose covalent materials with small-gap as promising platforms for investigating tunable phonon magnetic moment.
PHYSICAL REVIEW LETTERS
(2023)
Article
Multidisciplinary Sciences
Emre Ergecen, Batyr Ilyas, Junghyun Kim, Jaena Park, Mehmet Burak Yilmaz, Tianchuang Luo, Di Xiao, Satoshi Okamoto, Je-Geun Park, Nuh Gedik
Summary: Strong interactions between degrees of freedom result in complex phases and emergent collective excitations. Conventional techniques cannot probe the phase of these excitations, necessitating the development of new phase-sensitive methods. In this study, we employ phase-resolved coherent phonon spectroscopy to reveal a hidden spin-lattice coupling in FePS3 that was undetectable by conventional probes. Our findings highlight the potential of phase-resolved CPS as a tool for investigating hidden interactions.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Nanoscience & Nanotechnology
Alessandro R. R. Mazza, Elizabeth Skoropata, Jason Lapano, Michael A. A. Chilcote, Cameron Jorgensen, Nan Tang, Zheng Gai, John Singleton, Matthew J. J. Brahlek, Dustin A. A. Gilbert, Thomas Z. Z. Ward
Summary: By designing magnetic frustration in structurally single crystal films, exchange bias and antiferromagnetic spin reversal can be achieved without the need for complex heterostructures and nanocomposites. Through hole doping of high entropy perovskite oxides, magnetic responses can be tuned and highly tunable exchange bias can be created.
Article
Multidisciplinary Sciences
Pagnareach Tin, Michael J. Jenkins, Jie Xing, Nils Caci, Zheng Gai, Rongyin Jin, Stefan Wessel, J. Krzystek, Cheng Li, Luke L. Daemen, Yongqiang Cheng, Zi-Ling Xue
Summary: This study demonstrates that NiBO is a rare two-dimensional metal-organic framework (MOF) Haldane topological material with potential quantum applications.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Zeeshan Ali, Zhen Wang, Alessandro R. Mazza, Mohammad Saghayezhian, Roshan Nepal, Thomas Z. Ward, Yimei Zhu, Jiandi Zhang
Summary: We demonstrate continuous tuning of crystal symmetry from orthorhombic to tetragonal in perovskite ruthenates by substituting strontium with barium. The substitution not only changes the magnetic properties, but also tunes the perpendicular magnetic anisotropy and eliminates RuO6 rotational distortions. Further substitution enhances the tetragonal distortion and suppresses ferromagnetism by controlling the Ru-4d orbital occupancy. These results show that isovalent substitution significantly impacts the electronic and magnetic properties of perovskite oxides.
Article
Multidisciplinary Sciences
Jiaqi Cai, Eric Anderson, Chong Wang, Xiaowei Zhang, Xiaoyu Liu, William Holtzmann, Yinong Zhang, Fengren Fan, Takashi Taniguchi, Kenji Watanabe, Ying Ran, Ting Cao, Liang Fu, Di Xiao, Wang Yao, Xiaodong Xu
Summary: This study reports experimental evidence of the fractional quantum anomalous Hall (FQAH) states in a twisted molybdenum ditelluride (MoTe2) bilayer. Magnetic circular dichroism measurements reveal robust ferromagnetic states at fractionally hole-filled moire minibands. Landau fan diagram obtained through trion photoluminescence measurements matches the predicted dispersion of FQAH states with fractionally quantized Hall conductance values.