Article
Chemistry, Physical
Yongfeng Qu, Jijun Ding, Haiwei Fu, Haixia Chen, Jianhong Peng
Summary: The study systematically investigates the doping effect of boron and sulfur atoms on the electronic and adsorption properties of graphene through density functional theory simulations. The results show that the ratio of B and S atom doping determines the type of conductivity exhibited by graphene, with a ratio less than 2 resulting in n-type and higher ratios leading to p-type conductivity. Additionally, the role of vacancy defects in graphene and the transformation behavior from p to n-type induced by increasing S atom doping are highlighted.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
Maodan Xu, Xixin Wang, Ziqing Li, Xu Tan, Mengyao Yang, Jianling Zhao
Summary: By combining defect engineering and lattice restoring agents, the graphitic nitrogen content in graphene sheets can be tuned over a wide range at low temperature. This modified graphene shows improved ion diffusion capacity and specific capacitances, making it suitable for high-performance supercapacitors.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Jin Yao Ho, Kazi Fazle Rabbi, Siavash Khodakarami, Xiao Yan, Longnan Li, Teck Neng Wong, K. C. Leong, Nenad Miljkovic
Summary: Novel processing phenomena in metal additive manufacturing, coupled with various alloying materials, have led to the development of previously unexplored micro-/nanostructures. A rational nanofabrication strategy for metal additive manufacturing surfaces enables the tailoring of interface morphology and chemistry, opening up many potential applications.
Article
Engineering, Environmental
L. Quan, F. X. Qin, H. T. Lu, D. Estevez, Y. F. Wang, Y. H. Li, Y. Tian, H. Wang, H. X. Peng
Summary: This study successfully prepared sulfur and nitrogen dual doped graphene with different doping sequences, and found that the first doping process has a significant impact on the properties of graphene, while the second doping step further influences the final performance. The dual doped graphene samples exhibited two pronounced absorption peaks and different absorption properties.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Nanoscience & Nanotechnology
Alexander Dallinger, Felix Steinwender, Matthias Gritzner, Francesco Greco
Summary: This study presents a simple and scalable approach using laser-induced graphene (LIG) and a locally inert atmosphere to control the wettability of a polyimide/LIG surface, achieving a transition from hydrophilic to superhydrophobic (∼160°). The wettability of LIG is influenced by the amount of oxygen on its surface, which can be adjusted by the local atmosphere. The effect of LIG surface roughness on wettability is also investigated, and the combination of surface chemistry and roughness is discussed. The proposed processing allows for continuous tuning and patterning of LIG surface properties, making it useful for lab-on-chip applications.
ACS APPLIED NANO MATERIALS
(2023)
Article
Chemistry, Physical
Ki-Ho Nam, Moataz Abdulhafez, Golnaz Najaf Tomaraei, Mostafa Bedewy
Summary: This paper presents a direct-write method for patterning fluorine-doped nanocarbons on molecularly engineered polymers, resulting in superhydrophobic and parahydrophobic surfaces. The method allows control over morphology and chemical composition, leading to surfaces with high water contact angles. The study also demonstrates strain-induced switchable adhesion and the ability to transfer droplets without any loss or contamination. The approach provides new insights for designing interfaces for droplet manipulation and localized control of reactions.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Chun-Chih Tseng, Tiancheng Song, Qianni Jiang, Zhong Lin, Chong Wang, Jaehyun Suh, Kenji Watanabe, Takashi Taniguchi, Michael A. McGuire, Di Xiao, Jiun-Haw Chu, David H. Cobden, Xiaodong Xu, Matthew Yankowitz
Summary: The extreme versatility of van der Waals materials allows them to exhibit new electronic properties when in close proximity to dissimilar crystals. In this study, we investigate heterostructures of graphene and chromium trihalide magnetic insulators and discover unprecedented gate tunability and atypical transport features, providing a roadmap for exploiting proximity effects in graphene coupled to magnetic insulators.
Article
Physics, Multidisciplinary
Henry Lambley, Gustav Graeber, Raphael Vogt, Leon C. C. Gaugler, Enea Baumann, Thomas M. M. Schutzius, Dimos Poulikakos
Summary: Supercooled droplet freezing on surfaces is a common phenomenon in nature and industry, but little is known about its effect on droplet-substrate interactions and the design of icephobic surfaces. This study investigates freezing of supercooled droplets on textured surfaces and identifies surface properties that promote ice expulsion. The study also explores mechanisms through which repellency falters and provides insights into the phenomenology of ice adhesion throughout freezing. The findings contribute to the design of icephobic surfaces for increased safety and sustainability in engineering applications.
Article
Thermodynamics
Geng Di Sia, Ming Kwang Tan, Gooi Mee Chen, Yew Mun Hung
Summary: By modifying surface wettability with graphene nanoplatelets, coatings can greatly enhance flow boiling heat transfer, with superhydrophilic coatings showing the best performance. The superhydrophilic coatings facilitate fast water permeation and effective filmwise boiling heat transfer, while hydrophobic and superhydrophobic coatings hinder water intercalation and reduce heat transfer rates.
CASE STUDIES IN THERMAL ENGINEERING
(2021)
Correction
Physics, Multidisciplinary
Jonas Strunz, Jonas Wiedenmann, Christoph Fleckenstein, Lukas Lunczer, Wouter Beugeling, Valentin L. Mueller, Pragya Shekhar, Niccolo Traverso Ziani, Saquib Shamim, Johannes Kleinlein, Hartmut Buhmann, Bjoern Trauzettel, Laurens W. Molenkamp
Summary: An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Article
Chemistry, Physical
Jiahui Shi, Yuxin Ye, Ning Luo, Liang Zhang, Jiayao Wang, Taotao Lin, Jing Yang, Lijun Ye, Yongjin Li, Jichun You
Summary: Substrate-independent and robust coatings with desired functions are in high demand, but their fabrication and fundamental theory remain challenging due to conflicting requirements on surface free energy (SFE) at different interfaces. A novel strategy based on counterion exchange has been developed to tailor SFE continuously and reversibly. PVDF-g-IL coating with hierarchical surface roughness was fabricated and exhibited excellent bondability and robustness. Controlled counterion exchange was used to tune SFE at the top interface, enabling super-hydrophilic/super-hydrophobic properties and tunable adsorption at multiple interfaces.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Mykola Telychko, Keian Noori, Hillol Biswas, Dikshant Dulal, Zhaolong Chen, Pin Lyu, Jing Li, Hsin-Zon Tsai, Hanyan Fang, Zhizhan Qiu, Zhun Wai Yap, Kenji Watanabe, Takashi Taniguchi, Jing Wu, Kian Ping Loh, Michael F. Crommie, Aleksandr Rodin, Jiong Lu
Summary: The successful creation of stable artificial atomic charge in a graphene lattice through ion implantation has been achieved. Experimental and computational studies have shown that the N dopant behaves as an in-plane proton-like charge, and the energy of the resonance state it produces is heavily renormalized at specific charge carrier densities.
Article
Chemistry, Multidisciplinary
Min Seok Yoo, Hyo Chan Lee, Seon Baek Lee, Kilwon Cho
Summary: A one-step CVD method utilizing a copper-phosphorus eutectic system as a catalyst is proposed for growing multilayer graphene with tunable doping types. The method allows for simultaneous control of graphene thickness and doping level during synthesis, while enabling patterned growth of MLG at the microscale. The resulting phosphorus-doped graphene demonstrates a tunable doping state, from large n-type doping to p-type doping.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Asif Ali, So-Young Kim, Muhammad Hussain, Syed Hassan Abbas Jaffery, Ghulam Dastgeer, Sajjad Hussain, Bach Thi Phuong Anh, Jonghwa Eom, Byoung Hun Lee, Jongwan Jung
Summary: The electronic properties of single-layer, CVD-grown graphene were affected by deep ultraviolet (DUV) light irradiation in different radiation environments, leading to p-type or n-type doping. The degree of doping increased with exposure time, with n-type doping in vacuum reaching saturation after 60 minutes. Additionally, p-type doping in air exhibited higher stability, while n-type doping in nitrogen gas was relatively unstable over time.
Article
Chemistry, Multidisciplinary
Yanan Wang, Guantao Wang, Meihong He, Fu Liu, Mingguang Han, Tan Tang, Sida Luo
Summary: Functional surfaces with tunable and patternable wettability have been developed using laser-induced graphene papers, allowing for continuous tuning of wettability from superlyophilicity to superlyophobicity. The designable processes for achieving various wetting patterns have enabled multifunctional and multi-scenario applications in biomedical, environmental, and energy storage fields.
Article
Materials Science, Ceramics
Shaofeng Yue, Yuhang Jing, Yi Sun, Junqing Zhao, N. R. Aluru
Summary: The research reveals that local lattice deformation plays a crucial role in the rotation and transfer steps of proton diffusion in both BaZrO3 (BZY) and its grain boundaries (GB), resulting in significant energy barriers which inhibit proton diffusion in GB.
CERAMICS INTERNATIONAL
(2022)
Article
Energy & Fuels
Hongwei Niu, Yuhang Jing, Yi Sun, Licheng Guo, Narayana R. Aluru, Weiqi Li, Jianqun Yang, Xingji Li
Summary: This paper investigates the strain effects on the energy barrier of proton diffusion in Y-doped BaCeO3 and BaZrO3 through detailed density functional theory calculations. The energy barrier of proton rotation decreases under tensile strain. However, for intra-octahedral proton transfer, the energy barrier decreases under tensile strain, while for inter-octahedral proton transfer, the energy barrier increases under tensile strain. The opposite strain effects observed in BCY and BZY during intra-octahedral proton transfer are attributed to the opposite bond order change of the hydrogen bond. Overall, this study explores the potential to tune the energy barrier of proton transport in perovskite oxide through strain engineering and design novel proton conductors.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Lalith Krishna Samanth Bonagiri, Kaustubh S. Panse, Shan Zhou, Haiyi Wu, Narayana R. Aluru, Yingjie Zhang
Summary: In this study, we developed charge profiling three-dimensional atomic force microscopy (CP-3D-AFM) to experimentally measure the real-space charge distribution of electrode surfaces and electric double layers (EDLs). We observed sub-nanometer charge variations and found that the integrated charge densities agreed with macroscopic electrochemical measurements.
Article
Materials Science, Multidisciplinary
Thanh Chinh Nguyen, N. R. Aluru
Summary: The on-surface synthesis method is a promising technology for producing nanometer-wide graphene nanoribbons with well-preserved edge structures. This study investigates the surface-assisted synthesis of 7-armchair graphene nanoribbons using a multiscale simulation method. The effect of monomer coverage and substrate type on the polymerization process is studied, and a mathematical model is developed for predicting the percentage of long nanoribbons.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Chemistry, Physical
A. Moradzadeh, H. Oliaei, N. R. Aluru
Summary: Water plays a crucial role in various processes and understanding its phases is important for nanodevice engineering. Our study develops a graph neural network method to directly distinguish water phases from data. We compare this approach with conventional order parameter methods to study phase transitions in different water systems.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Samuel Faucher, Matthias Kuehne, Hananeh Oliaei, Rahul Prasanna Misra, Sylvia Xin Li, Narayana R. Aluru, Michael S. Strano
Summary: Recent measurements have shown that fluids under extreme confinement, such as water in narrow carbon nanotubes, deviate significantly from theoretical descriptions. In this study, precise replicas of carbon nanotubes filled with water were generated and analyzed using Raman spectroscopy. The results revealed the presence of submicron vapor-like and liquid-like domains in partially filled nanodroplet states, and a Clausius-Clapeyron-type model was used to calculate the heats of condensation of water inside different diameter carbon nanotubes. The findings suggest the potential of molecular engineering of nanoconfined liquid/vapor interfaces for water treatment or membrane distillation.
Review
Chemistry, Multidisciplinary
Narayana R. Aluru, Fikret Aydin, Martin Z. Bazant, Daniel Blankschtein, Alexandra H. Brozena, J. Pedro de Souza, Menachem Elimelech, Samuel Faucher, John T. Fourkas, Volodymyr B. Koman, Matthias Kuehne, Heather J. Kulik, Hao-Kun Li, Yuhao Li, Zhongwu Li, Arun Majumdar, Joel Martis, Rahul Prasanna Misra, Aleksandr Noy, Tuan Anh Pham, Haoran Qu, Archith Rayabharam, Mark A. Reed, Cody L. Ritt, Eric Schwegler, Zuzanna Siwy, Michael S. Strano, YuHuang Wang, Yun-Chiao Yao, Cheng Zhan, Ze Zhang
Summary: Confined fluids and electrolyte solutions in nanopores exhibit rich and surprising physics and chemistry that impact the mass transport and energy efficiency in many important natural systems and industrial applications. Exploiting these effects presents myriad opportunities in both basic and applied research that stand to impact a host of new technologies. In this review article, the progress on nanofluidics of single-digit nanopores (SDNs) is summarized, with a focus on the confinement effects. The recent development of precision model systems, transformative experimental tools, and multiscale theories in this field are reviewed.
Article
Chemistry, Multidisciplinary
Fanfan Chen, Yunhong Zhao, Anshul Saxena, Chunxiao Zhao, Mengdi Niu, Narayana R. Aluru, Jiandong Feng
Summary: Classical nanofluidic frameworks focus on confined fluid and ion transport at solid-liquid interface under an electrostatic field, but overlook the electronic property of the solid. We discovered a nanofluidic analogy of Coulomb drag at the liquid-graphene interface, which effectively couples ion and electron dynamics. Our experiments and calculations reveal that the induced electric current in graphene by ionic flow is a result of confined ion-electron interactions through the nanofluidic Coulomb drag mechanism. This finding opens up new possibilities for nanofluidics and transport control by ion-electron coupling.
Article
Physics, Applied
Yechan Noh, N. R. Aluru
Summary: In this study, the impact of vibrational coupling on atomic transport was examined using molecular dynamics simulations. The findings showed that atomic transport can be activated when the natural frequency of the atomic slit is close to the natural frequency of the atom being transported. Fluctuating forces induced by vibrational coupling were observed, with higher amplitudes observed when the coupling is strong. The high force fluctuations allow the atom to temporarily surpass the transport barrier of the slit, leading to transport activation. These findings provide a foundation for further exploration of vibrational coupling in mass transport.
APPLIED PHYSICS LETTERS
(2023)
Article
Chemistry, Physical
Chenxing Liang, Archith Rayabharam, N. R. Aluru
Summary: In this study, the structural and dynamical properties of water and heavy water under nanoscale confinement were investigated using path integral molecular dynamics simulations. It was found that under nanoscale confinement, the bond length and bond angle of both water and heavy water were smaller compared to the bulk state. The number of hydrogen bonds decreased, indicating a weakened hydrogen bond interaction. Heavy water had a higher dipole moment and stronger hydrogen bonding than water.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Multidisciplinary
Matthew J. Coupin, Yi Wen, Sungwoo Lee, Anshul Saxena, Colin Ophus, Christopher S. Allen, Angus I. Kirkland, Narayana R. Aluru, Gun-Do Lee, Jamie H. Warner
Summary: Defects in crystalline lattices cause modulation of the atomic density, leading to variations in the associated electrostatics at the nanoscale. Four-dimensional scanning transmission electron microscopy (4D-STEM) was used to measure electric fields near point dislocations in a monolayer, overcoming the challenges of traditional phase contrast imaging. The increased electric field magnitude near the (1,0) edge dislocation core in graphene is shown to arise from long-range interactions beyond the nearest atomic neighbor. These results provide insights into using 4D-STEM for quantifying electrostatics and mapping potential variations in thin materials.
Article
Materials Science, Composites
Ali Ashraf, Elizabeth Chang, Md Ashiqur Rahman, Dipannita Ghosh, Nazmul Islam, Jennifer K. Lynch-Branzoi
Summary: This study aims to develop a low-cost method to prepare graphene nanocomposites by in situ exfoliation process, which transforms graphite into graphene nanoflakes and combines them with polymers. These graphene nanocomposites show superior mechanical, thermal, electrical, and sensing properties, making them promising candidates for applications in structural health monitoring, automobiles aerospace, and healthcare.
JOURNAL OF COMPOSITES SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Archith Rayabharam, Haoran Qu, YuHuang Wang, N. R. Aluru
Summary: The study demonstrates that nanosized pores with controlled pore sizes can separate ethanol-water mixtures through molecular sieving at room temperature and pressure, eliminating the need for energy-intensive and expensive distillation. A selectivity ratio as high as 6700 for water/ethanol separation was achieved with a (6,4) nanotube, which diminishes as the pore size increases beyond 0.306 nm.
Article
Chemistry, Multidisciplinary
Yechan Noh, Narayana R. Aluru
Summary: Ion transport is crucial for cell proliferation, energy conversion, and homeostasis in living systems. This mechanism has inspired various nanofluidic applications, such as electricity harvesting, molecular sensors, and molecular separation. Through extensive molecular dynamics simulations, we investigated ion conduction across flexible 2D nanoporous membranes and found that the microscopic fluctuations of these membranes significantly increase ion conductance. Our analysis revealed that when the membrane fluctuated within a specific frequency range, the ion hydration was destabilized, leading to improved ion conduction. The dynamic coupling between the fluctuating membrane and ions plays a crucial role in ion conduction across 2D nanoporous membranes.
Article
Chemistry, Multidisciplinary
Matthew T. Gole, Mohan T. Dronadula, Narayana R. Aluru, Catherine J. Murphy
Summary: Understanding the adsorption behavior of proteins on rough and wrinkled surfaces is crucial for biosensor and flexible biomedical device applications. This study investigates the nanoscale adsorption behavior of immunoglobulin M (IgM) and immunoglobulin G (IgG) on wrinkled and crumpled surfaces using atomic force microscopy (AFM). The results show that the presence of negative curvature on the wrinkled surface reduces protein surface coverage, mainly due to geometric hindrance and reduced binding energy, while smaller IgG molecules are not affected by this degree of curvature.
NANOSCALE ADVANCES
(2023)
