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| 1 | Enhanced Ferromagnetism in ZnO Nanoribbons and Clusters Passivated with Sulfur显示文摘Inspired by recent experimental results,the electronic and magnetic properties of sulfur-passivated ZnO clusters and zigzag nanoribbons have been studied using fi rst principles calculations in the framework of the local spin density approximation.In the case of the ZnO nanoribbons,the sulfur atoms or thiol groups were attached in different ways to the zinc or oxygen atoms located at the edges,whereas in clusters,the sulfur atoms were set on the surface,mainly interacting with atoms with low-coordinate number.After an exhaustive atomic relaxation,we found that a magnetic moment emerges in zigzag nanoribbons both with and without sulfur-passivation on the edges.However,the magnitude of the magnetic moment is very sensitive to sulfur passivation.In particular,we found that when sulfur is attached to the zinc atoms in an alternating fashion along the ribbon edges,the magnetic moment is a maximum(1.4μB/unit cell).In the case of clusters,we found that the Zn_(15)O_(15) cluster exhibits a high spin moment of 5.5μB when capped with sulfur atoms.Our calculations indicate that sulfur-passivating of ZnO nanosystems could be responsible for recently observed ferromagnetic responses. | Andres R.Botello-Mendez Florentino Lopez-Urias Mauricio Terrones Humberto Terrones | 2008 | Nano Research2008，1，5： | 3 |
| 2 | Towards new graphene materials: Doped graphene sheets and nanoribbons显示文摘 | Ruitao Lv Mauricio Terrones | 2012 | Materials Letters2012，，： | 1 |
| 3 | Mechanical properties of nanocomposites reinforced by carbon nanotube sponges显示文摘Carbon nanotube(CNT)sponge exhibits unique porous and hierarchical structure that are beneficial to the design of ultralight and tough composites.In this study,CNT sponges(undoped and boron doped)reinforced polydimethylsiloxane(PDMS)composites were fabricated.Mechanical properties of the composite,including compressive modulus,rate-dependent modulus,stress relaxation behaviors,dynamic viscoelastic properties,and their dependency on temperature,were systematically investigated.A micromechanical model,Mori-Tanaka model,was validated to describe the mechanical behaviors of CNT sponge reinforced composites.By coupling with boron-doped CNT sponge,PDMS composites showed remarkable improvement of mechanical properties,including compressive modulus(70%),viscous modulus(243%)and damping capacity(50%).Such reinforcement effects can be controlled by the morphology of CNT sponges,as the boron-doped and undoped nanocomposites showed distinct viscoelastic behaviors.The results proved that CNT sponge reinforcement is a promising strategy to develop engineering composites with both outstanding mechanical stiffness and controllable viscoelastic performances. | Wenjie Zhao Tong Li Yupeng Li Daniel J.O'Brien Mauricio Terrones Bingqing Wei Jonghwan Suhr X.Lucas Lu | 2018 | Journal of Materiomics2018，4，2： | 1 |
| 4 | Efficient anchorage of Pt clusters on N-doped carbon nanotubes and their catalytic activity显示文摘 | Xavier Lepró Eduardo Terrés Yadira Vega-Cantú Fernando J. Rodríguez-Macías Hiroyuki Muramatsu Yoon Ahm Kim Takuya Hayahsi Morinobu Endo Miguel Torres R. Mauricio Terrones | 2008 | Chemical Physics Letters2008，，： | 1 |
| 5 | Synthesis and Structural Characterization of Novel Flower-like Titanium Dioxide Nanostructures显示文摘 | Castaneda Luis Mauricio Terrones | 2007 | Physica B2007，390，： | 1 |
| 6 | Autonomous scanning probe microscopy investigations over WS_(2)and Au{111}显示文摘Individual atomic defects in 2D materials impact their macroscopic functionality.Correlating the interplay is challenging,however,intelligent hyperspectral scanning tunneling spectroscopy(STS)mapping provides a feasible solution to this technically difficult and time consuming problem.Here,dense spectroscopic volume is collected autonomously via Gaussian process regression,where convolutional neural networks are used in tandem for spectral identification.Acquired data enable defect segmentation,and a workflow is provided for machine-driven decision making during experimentation with capability for user customization.We provide a means towards autonomous experimentation for the benefit of both enhanced reproducibility and user-accessibility.Hyperspectral investigations on WS_(2)sulfur vacancy sites are explored,which is combined with local density of states confirmation on the Au{111}herringbone reconstruction.Chalcogen vacancies,pristine WS_(2),Au face-centered cubic,and Au hexagonal close-packed regions are examined and detected by machine learning methods to demonstrate the potential of artificial intelligence for hyperspectral STS mapping. | John C.Thomas Antonio Rossi Darian Smalley Luca Francaviglia Zhuohang Yu Tianyi Zhang Shalini Kumari Joshua A.Robinson Mauricio Terrones Masahiro Ishigami Eli Rotenberg Edward S.Barnard Archana Raja Ed Wong D.Frank Ogletree Marcus M.Noack Alexander Weber-Bargioni | 2022 | npj Computational Materials2022，，1： | 0 |
| 7 | 基于超强拉曼增强金纳米粒子修饰的过渡金属双硫属化合物纳米片的分子检测(英文)显示文摘本文报道用不同尺寸的金纳米粒子(AuNPs)来修饰单层WS2和MoS2纳米片,通过表面增强拉曼散射(SERS)技术检测微量的罗丹明6G染料,并对比了它们在不同波长的激光激发下的等离子体特性。AuNPs在WS2和MoS2纳米片上的均匀沉积是通过种子介导的生长方法还原HAuCl4来实现的。我们进一步使用扫描电子显微镜和拉曼光谱对所制备的异质结构进行了表征。几种优化结构的拉曼增强因子接近108,几乎达到检测单分子需要的灵敏度。我们的研究结果表明,通过贵金属纳米粒子对超薄过渡金属双硫属元素化合物进行可控修饰是完全可行的。这个策略也适合于制备高效且灵活的基底,用在新一代基于表面增强拉曼散射的化学传感器和生物传感器上。Jason D Orlando 1,Ethan Kahn 2,Cindy Y Wong 3,Yin-ting Yeh 4,5,Tej B Limbu 1,Basant Chitara 1,Ana L Elias 4,5,Mauricio Terrones 4,5,YAN Fei(1.Department of Chemistry and Biochemistry,North Carolina Central University,Durham,NC.27707,USA;2.Department of Materials Science and Engineering,The Pennsylvania State University,University Park,PA.16802,USA;3.School for Engineering of Matter,Transport and Energy,Arizona State University,Tempe,AZ.85287,USA;4.Department of Physics,The Pennsylvania State University,University Park,PA.16802,USA;5.Center for Nanoscale Science,The Pennsylvania State University,University Park,PA.16802,USA) | Jason D Orlando Ethan Kahn Cindy Y Wong Yin-ting Yeh Tej B Limbu Basant Chitara Ana L Elias Mauricio Terrones 鄢非 | 2019 | 分析科学学报2019，35，6： | 0 |
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