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Cross-sectional scanning tunnelling microscopy and spectroscopy (XSTM/S) were used to map out the band alignment across the complex oxide interface of La$_{2/3}$Ca$_{1/3}$MnO$_{3}$/Nb-doped SrTiO$_{3}$. By a controlled cross-sectional…

Mesoscale and Nanoscale Physics · Physics 2010-07-06 TeYu Chien , Jian Liu , Jacques Chakhalian , Nathan P. Guisinger , John W. Freeland

Nitride perovskites are an emerging class of materials predicted to exhibit diverse functional properties, yet remain underexplored due to synthesis challenges of oxygen-free nitrides. Recently, LaMoN$_3$ has been reported as an oxygen-free…

Materials Science · Physics 2026-05-22 Surajit Adhikari , Sanika S. Padelkar , Jacek J. Jasieniak , Alexandr N. Simonov , Aftab Alam

With reduced dimensionality, it is often easier to modify the properties of ultra-thin films than their bulk counterparts. Strain engineering, usually achieved by choosing appropriate substrates, has been proven effective in controlling the…

Mesoscale and Nanoscale Physics · Physics 2017-10-31 S. Thomas , B. Kuiper , J. Hu , J. Smit , Z. Liao , Z. Zhong , G. Rijnders , A. Vailionis , R. Wu , G. Koster , J. Xia

Tin-based halide perovskites have emerged as promising lead-free alternatives for optoelectronic applications, yet their structural stability and phase behavior at finite temperatures remain challenging to predict. Here, we assess the…

Materials Science · Physics 2026-05-18 Thiago Puccinelli , Lucas Martin Farigliano , Gustavo Martini Dalpian

MASnI$_3$, an organometallic halide, has great potential in the field of lead-free perovskite solar cells. Ultraviolet photons have been shown to generate deep trapping electronic defects in mesoporous TiO$_2$-based perovskite, affecting…

Materials Science · Physics 2019-03-27 Qiaoqiao Li , Wenhui Wan , Yanfeng Ge , Busheng Wang , Yingmei Li , Chuang Wang , Yong-Hong Zhao , Yong Liu

The material class of hybrid organic-inorganic perovskites has risen rapidly from a virtually unknown material in photovoltaic applications a short 7 years ago into a ~20% efficient thin-film solar cell material. As promising as this class…

Materials Science · Physics 2017-05-29 Dongwen Yang , Jian Lv , Xingang Zhao , Qiaoling Xu , Yuhao Fu , Yiqiang Zhan , Alex Zunger , Lijun Zhang

Hybrid organic-inorganic halide perovskites for photovoltaics have attracted research interest due to their unique material properties, but suffered from poor material stability. In this work, we investigated the surface phase diagrams of…

Applied Physics · Physics 2021-09-30 Yun-Sim Kim , Chol-Hyok Ri , Yun-Hyok Kye , Un-Gi Jong , Chol-Jun Yu

The protection of halide perovskites is important for the performance and stability of emergent perovskite-based optoelectronic technologies. In this work, we investigate the potential inorganic protective coating materials ZnO, SrZrO3, and…

Materials Science · Physics 2022-02-22 Azimatu Fangnon , Marc Dvorak , Ville Havu , Milica Todorovic , Jingrui Li , Patrick Rinke

We investigate the structural, electronic and optical properties of mixed bromide-iodide lead perovskite solar cell CH$_3$NH$_3$Pb(I$_{1-x}$Br$_x$)$_3$ by means of the virtual crystal approximation (VCA) within density functional theory…

Materials Science · Physics 2017-09-22 Un-Gi Jong , Chol-Jun Yu , Nam-Hyok Kim , Guk-Chol Ri

Metal halide perovskites are of great interest for application in semitransparent solar cells due to their tunable bandgap and high performance. However, fabricating high-efficiency perovskite semitransparent devices with high average…

Materials Science · Physics 2024-04-22 Zongbao Zhang , Ran Ji , Xiangkun Jia , Shu-Jen Wang , Marielle Deconinck , Elena Siliavka , Yana Vaynzof

All-inorganic halide perovskites have attracted a great interest as a promising light harvester of perovskite solar cells due to their enhanced chemical stability. In this work we investigate the material properties of solid solutions…

Materials Science · Physics 2020-04-22 Chol-Jun Yu , Un-Hyok Ko , Suk-Gyong Hwang , Yun-Sim Kim , Un-Gi Jong , Yun-Hyok Kye , Chol-Hyok Ri

Accelerating the experimental cycle for new materials development is vital for addressing the grand energy challenges of the 21st century. We fabricate and characterize 75 unique halide perovskite-inspired solution-based thin-film materials…

Cesium based halide perovskites, such as CsPbI3 and CsSnI3, have emerged as exceptional candidates for next generation photovoltaic and optoelectronic technologies, but their practical application is limited by temperature dependent phase…

Materials Science · Physics 2025-10-30 Atefe Ebrahimi , Franco Pellegrini , Stefano De Gironcoli

The structural, thermoelectric, and optical properties of $[NH_3-(CH_2)_4-NH_3]CdCl_4$ were studied using Density Functional Theory (DFT) within the ABINIT code. The GGA-PBE functional, plane wave pseudopotentials, a kinetic energy cutoff…

Quantum technologic and spintronic applications require reliable semiconducting materials that enable a significant, long-living spin polarization of electronic excitations and offer the ability to manipulate it optically in an external…

This paper introduces Spectral Incoherent Diffractive Imaging (SIDI) as a novel method for achieving dark-field imaging of nanostructures with heterogeneous oxidation states. With SIDI, shifts in photoemission profiles can be spatially…

Optics · Physics 2023-12-25 Tamme Wollweber , Kartik Ayyer

In recent years, halide perovskite-based solar cells have received intensive attention, and demonstrated power conversion efficiency as high as 25.8%. With regard to the toxicity of Pb and the instability of organic elements, all inorganic…

Materials Science · Physics 2022-05-04 Dibyajyoti Saikia , Mahfooz Alam , Jayanta Bera , Atanu Betal , Appala Naidu Gandhi , Satyajit Sahu

Solution processed {\gamma}-Fe2O3 nanoparticles via the solvothermal colloidal synthesis in conjunction with ligand-exchange method are used for interface modification of the top electrode in inverted perovskite solar cells. In comparison…

Metal halide perovskite solar cells being one of the fastest emerging technologies for renewable energy still has to become more industry friendly in a way that will allow using it for thin film modules or tandems with conventional silicon…

Solution-processed, lead halide-based perovskite solar cells have overcome important challenges over the recent years, offering low-cost and high solar power conversion efficiencies. However, they still undergo unoptimized light collection…

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