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19942026
most citedNew Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides

1.8k citations

Showing 2016 · cond-mat.mtrl-sciShow all

10 papers · 2 filters

cond-mat.mtrl-sci2016★ 39 cited

Nonlinear photoluminescence imaging of isotropic and liquid crystalline dispersions of graphene oxide

Bohdan Senyuk, Natnael Behabtu, Benjamin G. Pacheco +5

We report a visible-range nonlinear photoluminescence (PL) from graphene oxide (GO) flakes excited by near-infrared femtosecond laser light. PL intensity has nonlinear dependence o…

cond-mat.mtrl-sci2016★ 73 cited

Three-dimensional patterning of solid microstructures through laser reduction of colloidal graphene oxide in liquid-crystalline dispersions

Bohdan Senyuk, Natnael Behabtu, Angel Martinez +6

Graphene materials and structures have become an essential part of modern electronics and photovoltaics. However, despite many production methods, applications of graphene-based st…

cond-mat.mtrl-sci2016★ 215 cited

A Computational Framework for Automation of Point Defect Calculations

Anuj Goyal, Prashun Gorai, Haowei Peng +2

A complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory has been developed. The framework provides an…

cond-mat.mtrl-sci2016★ 289 cited

Impact of Grain Boundaries on Efficiency and Stability of Organic-Inorganic Trihalide Perovskites

Zhaodong Chu, Mengjin Yang, Philip Schulz +7

Organic-inorganic perovskite solar cells have attracted tremendous attention because of their remarkably high power conversion efficiencies (PCEs). To further improve the device pe…

cond-mat.mtrl-sci2016★ 45 cited

Earth-abundant and Non-toxic SiX (X=S, Se) Monolayers as Highly Efficient Thermoelectric Materials

Ji-Hui Yang, Qinghong Yuan, Huixiong Deng +2

Current thermoelectric (TE) materials often have low performance or contain less abundant and/or toxic elements, thus limiting their large-scale applications. Therefore, new TE mat…

cond-mat.mtrl-sci2016★ 353 cited

Simultaneous band gap narrowing and carrier lifetime prolongation of organic-inorganic trihalide perovskites

Lingping Kong, Gang Liu, Jue Gong +12

The organic-inorganic hybrid lead trihalide perovskites have been emerging as the most attractive photovoltaic material. As regulated by Shockley-Queisser theory, a formidable mate…

cond-mat.mtrl-sci2016★ 42 cited

Suppression of compensating native defect formation during semiconductor processing via excess carriers

Kirstin Alberi, Michael A. Scarpulla

In many semiconductors, compensating defects set doping limits, decrease carrier mobility, and reduce minority carrier lifetime thus limiting their utility in devices. Native defec…

cond-mat.mtrl-sci2016★ 14 cited

Multiple-stage structure transformation of organic-inorganic hybrid perovskite CH3NH3PbI3

Qiong Chen, Henan Liu, Hui-Seon Kim +8

By performing spatially resolved Raman and photoluminescence spectroscopy with varying excitation wavelength, density, and data acquisition parameters, we have achieved a unified u…

cond-mat.mtrl-sci2016★ 40 cited

Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

Christopher M. Caskey, Aaron Holder, Sarah Shulda +20

Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable…

cond-mat.mtrl-sci2016★ 44 cited

Understanding and Control of Bipolar Doping in Copper Nitride

Angela N Fioretti, Craig P Schwartz, John Vinson +10

Semiconductor materials that can be doped both n-type and p-type are desirable for diode-based applications and transistor technology. Copper nitride (Cu3N) is a metastable semicon…