Zobrazeno 1 - 10
of 1 084
pro vyhledávání: '"van Duin, A. C. T."'
Autor:
Baksa, Steven M., Gelin, Simon, Oturak, Seda, Spurling, Robert Jackson, Sepehrinezhad, Alireza, Jacques, Leonard, Trolier-McKinstry, Susan E., van Duin, Adri C. T., Maria, Jon-Paul, Rappe, Andrew M., Dabo, Ismaila
Ferroelectrics are of practical interest for non-volatile data storage due to their reorientable, crystallographically defined polarization. Yet efforts to integrate conventional ferroelectrics into ultrathin memories have been frustrated by film-thi
Externí odkaz:
http://arxiv.org/abs/2311.05413
The interface between NiCr alloys and FLiNaK molten salt exhibits complex corrosion behavior, mainly driven by intricate chemical interactions involving Cr and F$\mathrm{^-}$ ions. Understanding these dynamic reactions is crucial for developing effec
Externí odkaz:
http://arxiv.org/abs/2310.05856
Publikováno v:
J. Phys. Chem. C 128 (2024), 4111-4118
All-inorganic halide perovskites have received a lot of attention as attractive alternatives to overcome the stability issues of hybrid halide perovskites that are commonly associated with organic cations. To find a compromise between the optoelectro
Externí odkaz:
http://arxiv.org/abs/2309.09588
Autor:
Hossain, Md Jamil, Gaikwad, Prashik, Shin, Yun Kyung, Schulze, Jessica, Penrod, Kate, Li, Meng, Lin, Yuxiao, Pawar, Gorakh, van Duin, Adri C. T.
Publikováno v:
Npj Comput. Mater. 10 (2024) 136
Electrocatalysis is a catalytic process where the rate of an electrochemical reaction occurring at the electrode-electrolyte interface can be controlled by varying the electrical potential. Electrocatalysis can be applied to generate hydrogen which c
Externí odkaz:
http://arxiv.org/abs/2304.14256
Autor:
Mohammadtabar, Karen, Guerrero, Enrique, Garcia, Sergio Romero, Shin, Yun Kyung, van Duin, Adri C. T., Strubbe, David A., Martini, Ashlie
Publikováno v:
J. Phys. Chem. C 2023, 127, 25, 12171-12183
The properties of $\mathrm{MoS_2}$ can be tuned or optimized through doping. In particular, Ni doping has been shown to improve the performance of $\mathrm{MoS_2}$ for various applications, including catalysis and tribology. To enable investigation o
Externí odkaz:
http://arxiv.org/abs/2302.01268
Autor:
Moradifar, Parivash, Wang, Tao, Nayir, Nadire, Sharifi, Tiva, Wang, Ke, Ajayan, Pulickel, van Duin, Adri C. T., Alem, Nasim
Layered chalcogenides including Bi2Te3, Sb2Te3, Bi-Sb-Te ternary alloys and heterostructures are known as great thermoelectric, topological insulators and recently highlighted as plasmonic building blocks beyond noble metals. Here, we conduct a joint
Externí odkaz:
http://arxiv.org/abs/2211.04018
Publikováno v:
ACS Appl. Mater. Interfaces 14 (2022) 40841-40850
The commercialization of perovskite solar cells is hindered by the poor long-term stability of the metal halide perovskite (MHP) light absorbing layer. Solution processing, the common fabrication method for MHPs, produces polycrystalline films with a
Externí odkaz:
http://arxiv.org/abs/2205.10545
A ReaxFF molecular dynamics study of hydrogen diffusion in ruthenium -- the role of grain boundaries
Autor:
Onwudinanti, Chidozie, Pols, Mike, Brocks, Geert, Koelman, Vianney, van Duin, Adri C. T., Morgan, Thomas, Tao, Shuxia
Ruthenium thin films can serve as protective caps for multi-layer extreme ultraviolet mirrors exposed to atomic hydrogen. Hydrogen permeation through ruthenium is problematic as it leads to blisters on the mirrors. H has been shown to exhibit low sol
Externí odkaz:
http://arxiv.org/abs/2110.00440
Autor:
Rajabpour, Siavash, Vera, Alexander, He, Wen, Katz, Benjamin N., Koch, Roland J., Lassaunière, Margaux, Chen, Xuegang, Li, Cequn, Nisi, Katharina, El-Sherif, Hesham, Wetherington, Maxwell T., Dong, Chengye, Bostwick, Aaron, Jozwiak, Chris, van Duin, Adri C. T., Bassim, Nabil, Zhu, Jun, Wang, Gwo-Ching, Wurstbauer, Ursula, Rotenberg, Eli, Crespi, Vincent, Quek, Su Ying, Robinson, Joshua A.
Chemically stable quantum-confined 2D metals are of interest in next-generation nanoscale quantum devices. Bottom-up design and synthesis of such metals could enable the creation of materials with tailored, on-demand, electronic and optical propertie
Externí odkaz:
http://arxiv.org/abs/2106.00117
Publikováno v:
J. Phys. Chem. Lett. 12 (2021) 5519-5525
Halide perovskites make efficient solar cells due to their exceptional optoelectronic properties, but suffer from several stability issues. The characterization of the degradation processes is challenging because of the limitations in the spatio-temp
Externí odkaz:
http://arxiv.org/abs/2104.01455