Article
Chemistry, Inorganic & Nuclear
Yu-Qi Chen, Huan-Huan Zhang, Bo Wen, Xi-Bo Li, Xiao-Lin Wei, Wen-Jin Yin, Li-Min Liu, Gilberto Teobaldi
Summary: This study extensively investigates the electronic properties and Schottky barrier height (E-SBH) of several vdW Janus MXY/graphene heterostructures through first-principles simulations. The results reveal that by modifying the composition and geometry of the heterostructure's interface, the electrical contact can be controlled, with a potential variation of up to a factor of seven in the E-SBH.
DALTON TRANSACTIONS
(2022)
Article
Nanoscience & Nanotechnology
Hadass S. Inbar, Dai Q. Ho, Shouvik Chatterjee, Aaron N. Engel, Shoaib Khalid, Connor P. Dempsey, Mihir Pendharkar, Yu Hao Chang, Shinichi Nishihaya, Alexei V. Fedorov, Donghui Lu, Makoto Hashimoto, Dan Read, Anderson Janotti, Christopher J. Palmstrom
Summary: This study investigates the evolution of band topology in biaxially strained GdSb(001) epitaxial films using angle-resolved photoemission spectroscopy and density functional theory. The research reveals that the gap between the hole and the electron bands decreases as biaxial strain changes from tensile to compressive.
Article
Chemistry, Multidisciplinary
Qinghua Zhao, Guillaume Gouget, Jiacen Guo, Shengsong Yang, Tianshuo Zhao, Daniel B. Straus, Chengyang Qian, Nuri Oh, Han Wang, Christopher B. Murray, Cherie R. Kagan
Summary: This study successfully transformed epitaxially connected PbSe nanocrystal thin films into high photoconductance zinc-blende CdSe NC solids through solid-state cation exchange reactions, and further improved the structure and photoconductivity using atomic-layer deposited Al2O3. The fabricated field-effect transistors showed high electron mobilities and on-off ratios after doping, demonstrating the potential for optoelectronic devices with high performance.
Article
Nanoscience & Nanotechnology
I Castillo, T. Sohier, M. Paillet, D. Cakiroglu, C. Consejo, C. Wen, F. Wasem Klein, M-Q Zhao, A. Ouerghi, S. Contreras, A. T. Charlie Johnson, M. J. Verstraete, B. Jouault, S. Nanot
Summary: We performed transport measurements in monolayer MoS2 devices close to the bottom of the conduction band edge. The measured effective mobility is one of the highest among CVD-grown MoS2 monolayer devices. The electronic transport in the insulating regime is dominated by thermally activated transport at high temperature and Efros-Schklovkii variable range hopping at lower temperatures.
Article
Chemistry, Physical
Debora C. M. Rodrigues, Rodrigo G. Amorim, A. Latge, Pedro Venezuela
Summary: The concern for air quality and safety has led to the need for new gas sensors. Graphyne, which has similar electronic and mechanical properties as graphene, allows for single-atom dispersion into acetylenic pores. This study investigates the detection ability of transition metal-doped graphyne towards different gas molecules and suggests that TM functionalization of graphynes is a promising strategy for engineering the sensitivity and selectivity of gas nanosensors.
Article
Nanoscience & Nanotechnology
Qiang Yang, Xiaohui Hu, Xiaodong Shen, Arkady Krasheninnikov, Zhongfang Chen, Litao Sun
Summary: The study reveals that adsorption of 3d transition-metal (TM) atoms onto CrI3 monolayers can tune their electronic properties, improve ferromagnetic stability, and increase the Curie temperature. The Curie temperature of CrI3 can be increased nearly threefold by adsorption of Sc and V atoms, offering a new pathway for potential applications of TM-CrI3 systems in nanoelectronics and spintronics devices.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Muhammad S. Ramzan, Jens Kunstmann, Agnieszka B. Kuc
Summary: Additional electron or hole layers in MoS2/WSe2 heterobilayers can modify interlayer hybridization and affect quasiparticle energy and real-space extent of electron and hole states at different valleys. The band edges can shift from K to Q or Γ with a sufficient number of additional layers, providing a powerful way to tune the properties of interlayer excitons in TMDC heterostructures.
Article
Chemistry, Multidisciplinary
Jorge Juan Cabrera-Trujillo, Israel Fernandez
Summary: The presence of cyclopropenimine moiety in geminal frustrated Lewis pairs enhances the reactivity of the system towards small molecule activation by increasing the aromaticity strength of this fragment, leading to low energy barriers and high exergonic transformations.
CHEMICAL COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Yi Feng, Robert Joynt
Summary: This paper discusses the problem of valley degeneracy in Si qubit devices and introduces the wiggle well architecture as a solution. The theoretical analysis and model calculations show the overall magnitude of the effect and its dependence on the wavelength of concentration oscillations. A selection rule is derived to limit the effectiveness of the wiggle well under certain circumstances.
Article
Chemistry, Physical
Yichao Wang, Zulipiya Shadike, William Fitzhugh, Fan Wu, Sang-Jun Lee, Jun-Sik Lee, Xi Chen, Yuanzheng Long, Enyuan Hu, Xin Li
Summary: Recently, Mg doped Na metal oxide layered cathode compounds have attracted strong interest for Na-ion battery applications. A new type of asymmetric phase evolution between charge and discharge is found in P2-Na2/3Mg0.205Ni0.1Fe0.05Mn0.645O2, showing much-enhanced discharge voltage. The abnormal coexistence of the P2 solid solution with O2-P2 two-phase reaction during discharge, along with the reduction of O, Ni, and Fe redoxes, contributes to the high discharge voltage and low polarization.
ENERGY STORAGE MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Dafei Yuan, Mohammad A. Awais, Valerii Sharapov, Xunshan Liu, Andriy Neshchadin, Wei Chen, Luping Yu
Summary: A series of semiladder polymers with strong fluorescence and high charge transporting properties were developed by copolymerization of weak acceptors and weak donors, with TPTQ-F showing excellent performance in multilayer OLET devices.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Materials Science, Multidisciplinary
Shivani Saini, Anup Shrivastava, Ambesh Dixit, Sanjai Singh
Summary: The discovery of 2D Janus materials has accelerated the research and development of novel nanodevices, particularly in the fields of optoelectronics, piezoelectrics, and thermoelectrics. This study explores the thermoelectric behavior of Janus MoSeTe monolayer using an ab-initio technique, calculating electronic, vibrational, and transport parameters, as well as estimating the scattering time at different temperatures. The results show an ultra-low lattice thermal conductivity and a sufficiently high thermoelectric figure of merit, making the material promising for thermoelectric applications under high-temperature conditions.
JOURNAL OF MATERIALS SCIENCE
(2022)
Article
Chemistry, Physical
Rong Cheng, Wen-Cai Lu, K. M. Ho, C. Z. Wang
Summary: The amorphous diamond structures generated through simulations exhibit high tetrahedral bonding, approaching the compressibility and band gap of crystalline diamond, with some sp(2) bonding defects and local strains contributing to localized electronic states and vibrational modes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Naotaka Kasuya, Junto Tsurumi, Toshihiro Okamoto, Shun Watanabe, Jun Takeya
Summary: By utilizing an ion gel on top of a solution-processed, single-crystalline organic semiconductor film, researchers have observed a two-dimensional hole gas with high carrier density. The findings demonstrate the potential for tailoring low-dimensional electronic states through molecularly engineered heterointerfaces.
Article
Chemistry, Multidisciplinary
Jianbin Liu, Dashuai Wang, Kang Huang, Juncai Dong, Jiangwen Liao, Sheng Dai, Xuan Tang, Minmin Yan, Haisheng Gong, Jingjing Liu, Zhichao Gong, Rui Liu, Chunyu Cui, Gonglan Ye, Xiaolong Zou, Huilong Fei
Summary: Iodine doping effectively modulates the electronic structure of single-atom catalysts, improving the catalytic activity of cobalt-nitrogen-carbon catalyst towards the hydrogen evolution reaction. The introduction of iodine dopants optimizes hydrogen adsorption and facilitates HER kinetics, providing an alternative strategy for enhancing SAC performance.
Review
Chemistry, Multidisciplinary
Bing Bai, Chengxi Zhang, Yongjiang Dou, Lingmei Kong, Lin Wang, Sheng Wang, Jun Li, Yi Zhou, Long Liu, Baiquan Liu, Xiaoyu Zhang, Ido Hadar, Yehonadav Bekenstein, Aixiang Wang, Zongyou Yin, Lyudmila Turyanska, Jochen Feldmann, Xuyong Yang, Guohua Jia
Summary: During the last decade, atomically flat 2D semiconductor nanoplatelets (NPLs) have made extensive breakthroughs in synthesis, growth mechanisms, optical and electronic properties, and practical applications. The unique optical properties, such as extremely narrow emission line width and high gain coefficient, make NPLs favorable for light-emitting applications. However, challenges related to heavy metal elements in NPLs and ambiguous gain mechanisms need to be addressed for widespread applications.
CHEMICAL SOCIETY REVIEWS
(2023)
Article
Chemistry, Multidisciplinary
Bo Chen, Ping Hu, Fan Yang, Xingjiang Hua, Fairy Fan Yang, Fei Zhu, Ruiyan Sun, Ke Hao, Kuaishe Wang, Zongyou Yin
Summary: A method of preparing 2D molybdenum disulfide (MoS2) into self-supporting nano islands with maximum exposure of edge sites has been reported. The porous nano islands exhibit enhanced electrocatalytic activities for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), surpassing typical nanosheets and even outperforming commercial RuO2 catalyst in OER. This discovery provides another effective strategy to replace precious metal catalysts in industry.
Article
Chemistry, Multidisciplinary
Chengjun Dong, Ruonan Tian, Honglong Qu, Huai Tan, Gang Chen, Hongtao Guan, Zongyou Yin
Summary: Designing sensing materials with unique spatial structures, functional units, and surface activity is crucial for high-performance gas sensor for triethylamine (TEA) detection. In this study, mesoporous ZnO holey cubes were fabricated through a simple spontaneous dissolution and subsequent thermal decomposition strategy. The sensing performance was improved by functionalizing the mesoporous ZnO holey cubes with catalytic Pt nanoparticles, resulting in superior performances including high response, low detection limit, and fast response and recovery time. The response of Pt/ZnO-72 towards 200 ppm TEA was significantly enhanced, which could be attributed to the synergistic mechanism combining the intrinsic merits of ZnO, its unique mesoporous holey cubic structure, the presence of oxygen vacancies, and the catalytic sensitization effect of Pt.
Article
Chemistry, Multidisciplinary
Fan Yang, Ping Hu, Fairy Fan Yang, Bo Chen, Fei Yin, Ke Hao, Ruiyan Sun, Lili Gao, Zhehao Sun, Kuaishe Wang, Zongyou Yin
Summary: The limited electron transfer and surface activity of 2H-phase MoS2 are overcome by attaching it onto conductive carbon nanotubes, resulting in outstanding electroactivity.
Article
Crystallography
Yanlin Zhang, Honglong Qu, Cheng Gang, Hongtao Guan, Chengjun Dong, Zongyou Yin
Summary: As a typical spinel ferrite, porous, tremella-like NiFe2O4 was fabricated using porous, ultrathin nanosheets via the coordination of Ni2+ and Fe2+ with 1,4-phenylenediboronic acid. The NiFe2O4 sensor exhibited a low detection limit of 50 ppb, a fast response/recovery time, good reproducibility, and long-term stability at 220°C, attributed to its good catalytic activity and the presence of porous ultrathin nanosheets. This work provides a new insight into the fabrication of NiFe2O4 using 1,4-phenylenediboronic acid and shows promising potential for ppb-level toluene detection.
Article
Crystallography
Ruonan Tian, Huai Tan, Gang Chen, Hongtao Guan, Chengjun Dong, Zongyou Yin
Summary: In this study, Fe-alkoxide was fabricated using a solvothermal method and converted into α-Fe2O3, γ-Fe2O3, and their mixed-phase α/γ-Fe2O3 with a flower-like nanosheets-assembled structure through thermal treatment. The influence of calcination temperature on the phase and sensing properties of acetone detection was investigated. It was found that the α/γ-Fe2O3 annealed at 400 ℃ contained 18% α-Fe2O3 and exhibited excellent sensing performance towards acetone. It showed a high response of 353 to acetone with a concentration of 200 ppm, a low limit of detection of 0.5 ppm at 160 ℃, and demonstrated good linearity, reproducibility, selectivity, as well as fast response and recovery times.
Article
Materials Science, Multidisciplinary
Ary Anggara Wibowo, Mike Tebyetekerwa, Anh Dinh Bui, Thien N. Truong, Sandra Saji, Felipe Kremer, Zhongshu Yang, Zongyou Yin, Yuerui Lu, Daniel Macdonald, Hieu T. Nguyen
Summary: In this study, a method for growing large-area, high-quality MoSe2 monolayers and MoSe2-WSe2/WSe2-MoSe2 lateral heterostructures using molten salt-based chemical vapor deposition (CVD) is reported. The effects of different catalysts on the growth and optoelectronic quality of the materials are investigated, and it is found that molten salt catalysts support high-quality growth of MoSe2 monolayers and WSe2-MoSe2 lateral heterostructures.
ADVANCED MATERIALS TECHNOLOGIES
(2023)
Article
Nanoscience & Nanotechnology
Shuwen Cheng, Zhehao Sun, Kang Hui Lim, Tianxi Zhang, Emmerson Hondo, Tao Du, Liying Liu, Martyna Judd, Nicholas Cox, Zongyou Yin, Gang Kevin Li, Sibudjing Kawi
Summary: In this study, uniform BiOCl hierarchical nanoflowers with tunable thickness and abundant oxygen vacancies (OVs) were synthesized. The OV-rich BiOCl nanoflower showed a significant increase in photocatalytic conversion of CO2 to CO compared to BiOCl nanosheets. Analysis and calculations revealed the anisotropy in CO2 reduction activity across different crystal facets, and the morphology affected the conduction band and band gap, resulting in a more negative CB edge for BiOCl compared to CO2 reduction potential.
ACS APPLIED NANO MATERIALS
(2023)
Article
Chemistry, Physical
Haijiao Lu, Nasir Uddin, Zhehao Sun, Zibin Chen, Zackaria Mahfoud, Yilan Wu, Ary Anggara Wibowo, Zhicheng Su, Xinmao Yin, Chi Sin Tang, Xiaozhou Liao, Simon P. Ringer, Xiu Song Zhao, Andrew T. S. Wee, Michel Bosman, Zongyou Yin
Summary: By integrating plasmonic bismuth nanoparticles and non-plasmonic redox heterojunctions, we have successfully achieved high activity and selectivity in the transformation of CO2 into methanol. This is achieved through the use of localized surface plasmon resonances (LSPRs) to direct the reaction pathways and optimize product selectivity.
Article
Chemistry, Multidisciplinary
Mengdie Jin, Zhichao Zeng, Hao Fu, Siyuan Wang, Zongyou Yin, Xinyun Zhai, Qian Zhang, Yaping Du
Summary: In this study, highly stable perovskite nanocrystals were developed by doping Eu2+ into CsPbBr3. The Eu2+-doped CsPbBr3 nanocrystals exhibit tunable green-to-cyan emissions, high photoluminescence quantum yield, and good resistance to adverse conditions. The thermal stability of CsPbBr3 nanocrystals after Eu2+ doping is greatly enhanced, and they also show emissions of Eu2+. A cyan light emitting diode based on Eu2+-doped CsPbBr3 nanocrystals was fabricated, which displays narrow exciton emission under different current densities. This work provides a new approach to advancing perovskite nanomaterials for practical applications.
Article
Chemistry, Multidisciplinary
Guodong Meng, Fuzhi Zhan, Junyi She, Jinan Xie, Qinren Zheng, Yonghong Cheng, Zongyou Yin
Summary: In this study, the effect of nitrogen doping on the field emission properties of graphene was investigated. Experimental results showed that nitrogen doping could lower the turn-on field and increase the current density. Theoretical calculations revealed that nitrogen doping introduced additional charge and decreased the work function, thereby enhancing the field emission. Moreover, the study demonstrated the specific tunable effect of different nitrogen doping configurations and ratios on the field emission properties of graphene.
Article
Electrochemistry
Zhuo Wang, Zhehao Sun, Hang Yin, Honghe Wei, Zicong Peng, Yoong Xin Pang, Guohua Jiac, Haitao Zhao, Cheng Heng Pang, Zongyou Yin
Summary: Researchers have made significant progress in the field of CO2RR by utilizing machine learning techniques, including accelerated catalyst property prediction, activity and selectivity prediction, guided catalyst and electrode design, and assisted experimental synthesis. These advancements contribute to a better understanding of CO2RR and play a role in achieving carbon neutrality.
Article
Chemistry, Multidisciplinary
Doudou Zhang, Haobo Li, Haijiao Lu, Zongyou Yin, Zelio Fusco, Asim Riaz, Karsten Reuter, Kylie Catchpole, Siva Karuturi
Summary: This study fabricates a highly active ternary metal (hydro)oxide OER catalyst and uses machine learning methods to analyze its activity mechanism, demonstrating that adding Fe and Co can reduce overpotential and enhance activity. This study provides new insights into the activity mechanism of ternary metal (hydro)oxide amorphous catalysts.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Guodong Meng, Fuzhi Zhan, Junyi She, Jinan Xie, Qinren Zheng, Yonghong Cheng, Zongyou Yin
Summary: Graphene is a promising material for field emission, and nitrogen doping has been shown to enhance its field emission properties. This study investigated the impact of nitrogen doping on field emission by comparing undoped graphene with different levels of nitrogen doping. The results showed that nitrogen doping reduced the turn-on field and increased the current density. Density functional theory calculations revealed that nitrogen doping introduced additional charge and lowered the work function, leading to enhanced field emission. This study provides valuable insights into the tunable effect of nitrogen doping on the field emission properties of graphene.
Article
Chemistry, Physical
Hang Yin, Zhehao Sun, Kaili Liu, Ary Anggara Wibowo, Julien Langley, Chao Zhang, Sandra E. Saji, Felipe Kremer, Dmitri Golberg, Hieu T. Nguyen, Nicholas Cox, Zongyou Yin
Summary: This study reveals the synergy between defection sites on catalyst surfaces and hard metal nanoparticles, and their importance in enhancing photocatalytic activity and maintaining selectivity.
NANOSCALE HORIZONS
(2023)