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Squishing Skyrmions: Symmetry-Guided Dynamic Transformation of Polar Topologies Under Compression

https://doi.org/10.1021/acs.jpclett.2c03029

Linker, Thomas; Nomura, Ken-ichi; Fukushima, Shogo; Kalia, Rajiv K.; Krishnamoorthy, Aravind; Nakano, Aiichiro; Shimamura, Kohei; Shimojo, Fuyuki; Vashishta, Priya (December 2022, The Journal of Physical Chemistry Letters)

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EZFF: Python library for multi-objective parameterization and uncertainty quantification of interatomic forcefields for molecular dynamics

https://doi.org/10.1016/j.softx.2021.100663

Krishnamoorthy, Aravind; Mishra, Ankit; Kamal, Deepak; Hong, Sungwook; Nomura, Ken-ichi; Tiwari, Subodh; Nakano, Aiichiro; Kalia, Rajiv; Ramprasad, Rampi; Vashishta, Priya (January 2021, SoftwareX)
null (Ed.)
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Surface Transfer Doping in MoO _3–x /Hydrogenated Diamond Heterostructure

https://doi.org/10.1021/acs.jpclett.3c03541

Yang, Liqiu; Nomura, Ken-ichi; Krishnamoorthy, Aravind; Linker, Thomas; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya (February 2024, The Journal of Physical Chemistry Letters)
Growth Kinetics and Atomistic Mechanisms of Native Oxidation of ZrS _x Se _2–x and MoS ₂ Crystals

https://doi.org/10.1021/acs.nanolett.0c03263

Jo, Seong Soon; Singh, Akshay; Yang, Liqiu; Tiwari, Subodh C.; Hong, Sungwook; Krishnamoorthy, Aravind; Sales, Maria Gabriela; Oliver, Sean M.; Fox, Joshua; Cavalero, Randal L.; et al (December 2020, Nano Letters)
null (Ed.)
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Tellurene Photodetector with High Gain and Wide Bandwidth

https://doi.org/10.1021/acsnano.9b04507

Shen, Chenfei; Liu, Yihang; Wu, Jiangbin; Xu, Chi; Cui, Dingzhou; Li, Zhen; Liu, Qingzhou; Li, Yuanrui; Wang, Yixiu; Cao, Xuan; et al (January 2020, ACS Nano)

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Piezoelectricity across 2D Phase Boundaries

https://doi.org/10.1002/adma.202206425

Puthirath, Anand_B; Zhang, Xiang; Krishnamoorthy, Aravind; Xu, Rui; Samghabadi, Farnaz_Safi; Moore, David_C; Lai, Jiawei; Zhang, Tianyi; Sanchez, David_E; Zhang, Fu; et al (August 2022, Advanced Materials)

Abstract Piezoelectricity in low‐dimensional materials and metal–semiconductor junctions has attracted recent attention. Herein, a 2D in‐plane metal–semiconductor junction made of multilayer 2H and 1T′ phases of molybdenum(IV) telluride (MoTe₂) is investigated. Strong piezoelectric response is observed using piezoresponse force microscopy at the 2H–1T′ junction, despite that the multilayers of each individual phase are weakly piezoelectric. The experimental results and density functional theory calculations suggest that the amplified piezoelectric response observed at the junction is due to the charge transfer across the semiconducting and metallic junctions resulting in the formation of dipoles and excess charge density, allowing the engineering of piezoelectric response in atomically thin materials.
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