Article
Chemistry, Applied
Yongle Zhao, Huichen Xie, Wenwen Shi, Hong Wang, Chenyi Shao, Can Li
Summary: In this study, it was found that surface passivation with AlOx layer significantly improved the photoelectrochemical performance of Ta3N5 photoanode for water oxidation compared to TiOx layer modification. Mechanism study revealed that the negative charges on AlOx layer promoted the separation of photogenerated charges, leading to enhanced hole extraction and transfer efficiency.
JOURNAL OF ENERGY CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Chang Xin, Yufei Cheng, Jiawei Wang, Qian Sun, Enzhou Liu, Xiaoyun Hu, Hui Miao
Summary: This study successfully increased the photocurrent density and injection efficiency of Sb2Se3 photocathodes by modifying with ferrihydrite (FeHO3). The enhanced performance was attributed to the capture of back-migrating holes by FeHO3, the reduction of interfacial charge transfer resistance, and the significant increase in electrochemical active surface area (ECSA).
Article
Chemistry, Multidisciplinary
Xiaodong Wang, Huijuan Zhang, Chuanzhen Feng, Yu Wang
Summary: Efficient carrier separation is achieved in Ta3N5 by doping it with Cu and Zr, which modifies its morphology and band structure. This study provides new strategies for improving the performance of photoelectrochemical water splitting.
Article
Materials Science, Multidisciplinary
Min Li, Qing Hou, Jiechao Cui, Mingjie Qiu, Ailin Yang, Mingjin Zhou
Summary: Helium atoms are easily trapped at the copper/tungsten interface, forming larger helium bubbles and increasing helium concentration.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Engineering, Mechanical
Lujie Wang, Qian Qi, Ziyue Wang, Tongyang Li, Yuan Yu, Zhuhui Qiao, Huaguo Tang, Xuejian Liu, Zhengren Huang
Summary: The addition of tungsten particles as sintering aids improves the wear resistance of silicon nitride ceramics, reduces the friction coefficient, and decreases the wear rate.
Article
Materials Science, Coatings & Films
Haiyang Yu, Wenping Liang, Qiang Miao, Mengjuan Yin, Yaoyao Ma, Shiwei Zuo
Summary: This study focused on preparing a TaN gradient-modified layer on TA15 titanium alloy by RASP, which refined crystal sizes to the nanometer scale and facilitated adsorption and inward diffusion of Ta and N atoms. The pretreated TaN-modified layer demonstrated good wear resistance in ball-on-disc testing at 700 K, with a significantly reduced wear rate compared to untreated samples.
SURFACE & COATINGS TECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Shaohua Chen, Chenyuan Zhu, Haoyang Gu, Li Wang, Jiajie Qi, Lixiang Zhong, Zhibin Zhang, Chunlei Yang, Guoshuai Shi, Siwen Zhao, Shuzhou Li, Kaihui Liu, Liming Zhang
Summary: The study successfully improved the selectivity of CH4 and achieved efficient electrochemical conversion by designing the interface of monolayer hexagonal boron nitride/copper. Experimental and theoretical calculations both demonstrated that the h-BN/Cu interfacial perimeters provide specific chelating sites to accelerate the conversion of CO.
Article
Materials Science, Multidisciplinary
Ahmad Ghaderi Hamidi, Hosein Arabi, Saeed Rastegari
Summary: Research shows that, in addition to density, microstructural aspects have significant effects on the conductivity and thermal erosion resistance of W-Cu composites. Larger copper channels in W-Cu composites provide higher conductivity and erosion resistance, and the uniformity of channel walls has the same effects.
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Jiacai Li, Shengtao Li
Summary: This study developed a double-layer surface modification method, and through molecular dynamics simulation, it was found that the double-layer modified boron nitride nanosheets (DKBP) used to improve the thermal conductivity of epoxy resin composites have high thermal conductivity and superior dielectric properties.
MATERIALS CHEMISTRY AND PHYSICS
(2021)
Article
Chemistry, Analytical
Thangavel Elangovan, Athinarayanan Balasankar, Selvaraj Arokiyaraj, Ramaseshan Rajagopalan, Rani P. George, Tae Hwan Oh, Parasuraman Kuppusami, Subramaniyan Ramasundaram
Summary: Highly durable and antimicrobial tantalum nitride/copper nanocomposite coatings were prepared using pulsed magnetron sputtering. The coatings exhibited excellent antibacterial activity, with the TaN/Cu coating containing 10.46% copper showing the highest antimicrobial effect. The addition of copper also improved the mechanical properties of the coating.
Article
Chemistry, Multidisciplinary
Jingjing Wang, Ziyang Wang, Kunming Yang, Naiqi Chen, Jiamiao Ni, Jian Song, Quan Li, Fangyuan Sun, Yue Liu, Tongxiang Fan
Summary: Interfacial thermal resistance plays a critical role in heat dissipation. This study investigates the influence of interface defects on phonon scattering and finds that inelastic phonon scattering may greatly promote interfacial heat transport. The findings provide insights into nanoscale heat transport mechanisms at metal/nonmetal interfaces.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Energy & Fuels
Shuying Wu, Qiyan Chen, Dandan Chen, Deqi Peng, Ying Ma
Summary: Dispersion of hexagonal boron nitride nanosheets into phase change materials can significantly enhance the thermal conductivity of composites. Increasing the layer number and size of h-BN can effectively improve the thermal conductivity of the composites.
JOURNAL OF ENERGY STORAGE
(2021)
Article
Chemistry, Inorganic & Nuclear
Shuto Asano, Ken Niwa, Keith V. Lawler, Saori Kawaguchi-Imada, Takuya Sasaki, Masashi Hasegawa
Summary: A novel high-pressure phase of manganese mononitride (NiAs-type MnN) was synthesized successfully through a pressure-induced phase transition from a tetragonal distorted NaCl-type MnN at pressures above approximately 55 GPa. This is the first example of a nitride with a reversible structural phase transition from the distorted NaCl-type to the NiAs-type structure. The NiAs-type MnN has higher density and bulk modulus compared to the distorted NaCl-type one.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Lujie Wang, Qian Qi, Jiaqi Zheng, Hao Huang, Tongyang Li, Zhuhui Qiao, Huaguo Tang, Xuejian Liu, Zhengren Huang
Summary: Tungsten was suggested as a conductive phase for silicon nitride ceramics with matching thermal expansion. Ceramics with 20 vol% tungsten particles were densified through gas pressure sintering under a nitrogen atmosphere. The addition of tungsten increased thermal conductivity, while maintaining low thermal expansion coefficient. The resulting composite ceramic showed good electrical conductivity and could be machined with wire-electrical discharge cutting.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2023)
Article
Nanoscience & Nanotechnology
Taeeun Kim, Youngho Sihn, In-Ho Yoon, Sang Jun Yoon, Kwangse Lee, Jae Hwan Yang, Soonyong So, Chan Woo Park
Summary: The study investigates the potential of monolayer hexagonal boron nitride (hBN) as an effective hydrogen gas barrier for PEMs in a water electrolyzer. The hBN/Nafion composite membrane significantly enhances the hydrogen barrier property of Nafion 117, even at high temperatures, and improves water electrolysis efficiency while maintaining mechanical stability. By reducing hydrogen permeability and increasing long-term stability, the composite membrane shows promising applications in the field of water electrolysis.
ACS APPLIED NANO MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Jordan Bouaziz, Claudia Cancellieri, Bastian Rheingans, Lars P. H. Jeurgens, Fabio La Mattina
Summary: In the past 5 years, the transfer of epitaxial oxide thin films has become a hot topic in the scientific community. This work presents a new method for transferring epitaxial oxide films using a metallic Au/Ag bonding layer, which allows for a rigid bond to the final host substrate. SrRuO3 (SRO) and SrRuO3/SrTiO3 (STO) epitaxial films grown on a water-soluble Sr3Al2O6 sacrificial layer were successfully transferred onto a Si host substrate. The transferred membranes showed low roughness and straight interfaces without plastic deformation, indicating minimal mechanical damage and preservation of the initial quality. This procedure represents an important advancement in the development of technologies for membrane transfer of epitaxial oxides and superstructures.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Pravin Karna, Md Shafkat Bin Hoque, Sandip Thakur, Patrick E. Hopkins, Ashutosh Giri
Summary: We demonstrate through experiments that the ballistic length of hot electrons in laser-heated gold films can exceed approximately 150 nm, which is around 50% longer than the previous value of 100 nm determined from pump-probe experiments. Additionally, we observe that the mean free path of electrons after interband excitation can reach upwards of around 45 nm, which is higher than the average value of 30 nm predicted by our parameter-free density functional perturbation theory. Our first-principles calculations on electron-phonon coupling elucidate that the increase in mean free path due to interband excitation is a result of reduced electron-phonon coupling from lattice stiffening, providing a microscopic understanding of our experimental findings.
Article
Chemistry, Multidisciplinary
Huanyu Zhang, Faruk Okur, Claudia Cancellieri, Lars P. H. Jeurgens, Annapaola Parrilli, Dogan Tarik Karabay, Martin Nesvadba, Sunhyun Hwang, Antonia Neels, Maksym V. Kovalenko, Kostiantyn V. Kravchyk
Summary: Li dendrites form in Li7La3Zr2O12 (LLZO) solid electrolytes due to volume changes and voids at the Li metal/LLZO interface. Dense-porous LLZO membranes provide a solution by storing lithium in the pores, avoiding volume changes and void formation. The reported method of sequential tape-casting allows for the production of bilayer membranes with high performance.
Article
Chemistry, Physical
Vamseedhara Vemuri, Sean W. King, William A. Lanford, John T. Gaskins, Patrick Edward Hopkins, Jeremy Van Derslice, Han Li, Nicholas C. Strandwitz
Summary: Thermal processing of MLD alucone films can produce porous and low-k materials. The chemical evolution of the films during heating was studied using various spectroscopy techniques. The lowest dielectric constant of the processed alucone films was lower than that of ALD alumina films.
CHEMISTRY OF MATERIALS
(2023)
Article
Physics, Applied
Kenny Huynh, Yekan Wang, Michael E. Liao, Thomas Pfeifer, John Tomko, Ethan Scott, Khalid Hattar, Patrick E. Hopkins, Mark S. Goorsky
Summary: The recovery of silicon thermal conductivity was achieved through recrystallization of partially amorphized silicon. Transmission electron microscopy revealed nanoscale amorphous regions within a structurally distorted crystalline material. After annealing, strain recovery and recrystallization occurred, resulting in a bulk-like thermal conductivity in silicon.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Chemistry, Physical
Rupak Thapa, Lauren M. Dorsett, Raja Sekhar Bale, Suhaib Malik, Stefan C. Wagner, Derrick Bailey, Jacob Stoehr, Anthony N. Caruso, Jeffery D. Bielefeld, Sean W. King, Michelle M. Paquette
Summary: Carborane (C2B10H12) molecules are unique precursors for self-assembled monolayer (SAM) applications. These 3D, icosahedral (12-vertex) molecules allow for well-ordered layers formation with fewer defects compared to traditional linear alkyl SAMs. Post-growth treatments like heat and plasma can be used to crosslink and stabilize the films. These carborane thiol SAMs show stability to thermal and plasma treatment, with some changes in boron coverage and oxidation. The films can be further stabilized and modified by plasma treatment and may have various applications in functional and protective layers.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Muhammad A. Rahman, Sandip Thakur, Patrick E. Hopkins, Ashutosh Giri
Summary: By using DFT calculations and MD simulations, the influence of molecular functional groups and porosities on the electronic and thermal properties of 2D COFs are studied. It is found that mass densities or network porosities are the main factors dictating the band gaps, and specific functional groups forming the nodes can lead to wider band gaps. In terms of thermal properties, mass density is also a main factor governing heat conduction, and increasing porosities result in reduced thermal conductivities. Therefore, the study provides insights into the fundamental changes in the microscopic thermodynamics of 2D COFs and offers a blueprint for the synthesis of 2D COFs with desired electronic and thermal properties.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Simon Gramatte, Lars P. H. Jeurgens, Olivier Politano, Jose Antonio Simon Greminger, Florence Baras, Angelos Xomalis, Vladyslav Turlo
Summary: The size-dependent phase stability of gamma-Al2O3 was investigated using molecular dynamics simulations. At 900 K, a bulk transformation of the gamma-Al2O3 crystal to alpha-Al2O3 was suppressed, while distortions of the FCC O-sublattice and formation of Al local coordination spheres occurred. In contrast, 6 and 10 nm spherical gamma-Al2O3 nanoparticles underwent a crystalline-to-amorphous transformation at 900 K, with the formation of local coordination spheres of Al and compositional heterogeneity. These findings provide a fundamental explanation for the expansion of metal oxide nanoparticles with decreasing size, with implications for catalysis, nanoparticle sintering, and additive manufacturing of composites.
Article
Chemistry, Multidisciplinary
Dmitry N. Dirin, Anna Vivani, Marios Zacharias, Taras V. Sekh, Ihor Cherniukh, Sergii Yakunin, Federica Bertolotti, Marcel Aebli, Richard D. Schaller, Alexander Wieczorek, Sebastian Siol, Claudia Cancellieri, Lars P. H. Jeurgens, Norberto Masciocchi, Antonietta Guagliardi, Laurent Pedesseau, Jacky Even, Maksym V. Kovalenko, Maryna I. Bodnarchuk
Summary: The search for nontoxic alternatives to lead halide perovskites (LHPs) has revealed that the properties of LHPs can only be achieved in their closest Sn(II) and Ge(II) analogues, despite their tendency to oxidize. A judicious choice of chemistry led to the development of formamidinium tin iodide (FASnI3) with a power conversion efficiency of 14.81% in photovoltaic devices. The synthesis of colloidal FASnI3 NCs with reduced Sn(IV) concentration allowed for the investigation of their intrinsic structural and optical properties, showing characteristics distinct from bulk FASnI3.
Article
Materials Science, Multidisciplinary
A. V. Druzhinin, C. Cancellieri, R. Hauert, E. A. Klyatskina, N. N. Khrapova, A. A. Mazilkin, B. B. Straumal, J. Janczak-Rusch
Summary: This study reveals the effect of focused ion beam modification of the near-surface region of Ag/AlN nano-multilayer on the Ag surface outflow. Surface patterning by ion beam irradiation leads to the formation of more Ag crystals, while heat treatment initiates grooving of Ag grain boundaries, resulting in the formation of channels in the nano-multilayer. Ion bombardment creates regions of high concentration of non-equilibrium defects, which promotes the creation of more pathways for Ag surface migration. The experimental results indicate that surface modification by focused ion beam can be used for production of nano-multilayers with designed templates of surface outflow.
Article
Chemistry, Physical
Faruk Okur, Huanyu Zhang, Dogan Tarik Karabay, Konrad Muench, Annapaola Parrilli, Antonia Neels, Walid Dachraoui, Marta D. Rossell, Claudia Cancellieri, Lars P. H. Jeurgens, Kostiantyn V. Kravchyk, Maksym V. Kovalenko
Summary: The formation of cavities at the LLZO/Li interface hinders the further development of Li-garnet solid-state batteries. To address this issue, a method of fabricating porous LLZO membranes is proposed, which not only reduces cavity formation but also increases energy densities. The fabricated porous LLZO membranes exhibit long cycling stability.
ADVANCED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Huanyu Zhang, Giulia Paggiaro, Faruk Okur, Janis Huwiler, Claudia Cancellieri, Lars P. H. Jeurgens, Dmitry Chernyshov, Wouter van Beek, Maksym V. Kovalenko, Kostiantyn V. Kravchyk
Summary: The deployment of LLZO garnets as solid-state electrolytes for Li-metal solid-state batteries is hindered by the reactivity with water and carbon dioxide, leading to the formation of a contamination layer on the LLZO surface. High temperature annealing is studied as a thermal cleaning method, which effectively reduces the contamination but also results in the formation of a different phase on the LLZO surface. The impact of these factors on the performance of Li/LLZO/Li symmetrical cells was evaluated.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Cormac Toher, Mackenzie J. Ridley, Kathleen Q. Tomko, David Hans Olson, Stefano Curtarolo, Patrick E. Hopkins, Elizabeth J. Opila
Summary: Rare-earth silicates, used as environmental barrier coatings, show systematic trends in their properties. By combining first-principles calculations and experimental measurements, this study investigates the relationship between these properties and the radius of the rare-earth cation. The results provide design rules for developing new thermal and environmental barrier coatings with optimized functionality.
Review
Chemistry, Multidisciplinary
Ashutosh Giri, Scott G. Walton, John Tomko, Niraj Bhatt, Michael J. Johnson, David R. Boris, Guanyu Lu, Joshua D. Caldwell, Oleg V. Prezhdo, Patrick E. Hopkins
Summary: The coupled interactions among charge, heat, and electromagnetic fields at interfaces and boundaries enable various technologies. Thermal dissipation at these surfaces drives the functionalities of nanotechnologies in computing, communication, healthcare, clean energy, power recycling, sensing, and manufacturing. This review summarizes recent works on ultrafast and nanoscale energy transduction and heat transfer mechanisms across interfaces when different thermal carriers couple near or across interfaces.
