HybriD3: Discovery, Design, Dissemination of Organic-Inorganic Hybrid Semiconductor Materials for Optoelectronic Applications

The HybriD3 project focuses on crystalline hybrid organic-inorganic semiconductor materials, which offer a unique opportunity for the discovery and refinement of new functional semiconductors with fine-tuned properties, controlled at the atomic scale by organic chemistry and organic-inorganic synthesis and processing. The project accelerates the Design, Discovery and Dissemination (D3) of new crystalline organic-inorganic hybrid semiconductors in a collaborative effort between six teams of researchers located at three major universities in the Research Triangle: Duke University, University of North Carolina Chapel Hill and North Carolina State University.

Publications

Benchmark thermodynamic analysis of methylammonium lead iodide decomposition from first principles

D. Heine, H. Yu, and V. Blum

12/27/2023

Impact of Chiral Symmetry Breaking on Spin-Texture and Lone Pair Expression in Chiral Crystals of Hybrid Antimony and Bismuth Halides

A. E. Maughan, G. Koknat, P. C. Sercel, M. K. Jana, R. Brunecky, D. B. Mitzi, J. J. Berry, V. Blum, and M. C. Beard

10/24/2023

Curated materials data of hybrid perovskites: approaches and potential usage

R. Chakraborty, and V. Blum

10/1/2023

Thickness control of organic semiconductor-incorporated perovskites

J. Y. Park, R. Song, J. Liang, L. Jin, K. Wang, S. Li, E. Shi, Y. Gao, M. Zeller, S. J. Teat, P. Guo, L. Huang, Y. S. Zhao, V. Blum, and L. Dou

8/31/2023

Chiral Cation Doping for Modulating Structural Symmetry of 2D Perovskites

Y. Xie, J. Morgenstein, B. G. Bobay, R. Song, N. A. M. S. Caturello, P. C. Sercel, V. Blum, and D. B. Mitzi

8/2/2023

Structure and electronic tunability of acene alkylamine based layered hybrid organic-inorganic perovskites from first principles

R. Song, C. Liu, Y. Kanai, D. B. Mitzi, and V. Blum

8/2/2023

Metal‐Halide Perovskite Lasers: Cavity Formation and Emission Characteristics

J. Moon, Y. Mehta, K. Gundogdu, F. So, and Q. Gu

7/25/2023

Electronic Impurity Doping of a 2D Hybrid Lead Iodide Perovskite by Bi and Sn

H. Lu, G. Koknat, Y. Yao, J. Hao, X. Qin, C. Xiao, R. Song, F. Merz, M. Rampp, S. Kokott, C. Carbogno, T. Li, G. Teeter, M. Scheffler, J. J. Berry, D. B. Mitzi, J. L. Blackburn, V. Blum, and M. C. Beard

6/8/2023

Spin-orbit-coupling-induced band splitting in two-dimensional hybrid organic-inorganic perovskites: Importance of organic cations

S. Bhattacharya, and Y. Kanai

5/2/2023

Coherent Phonon‐Induced Modulation of Charge Transfer in 2D Hybrid Perovskites

D. Seyitliyev, X. Qin, M. K. Jana, S. M. Janke, X. Zhong, W. You, D. B. Mitzi, V. Blum, and K. Gundogdu

3/31/2023

Chiral Perovskite Nanoplatelets with Tunable Circularly Polarized Luminescence in the Strong Confinement Regime

Q. Cao, R. Song, C. C. S. Chan, Z. Wang, P. Y. Wong, K. S. Wong, V. Blum, and H. Lu

3/21/2023

Cavity Engineering of Perovskite Distributed Feedback Lasers

Q. Dong, X. Fu, D. Seyitliyev, K. Darabi, J. Mendes, L. Lei, Y. Chen, C. Chang, A. Amassian, K. Gundogdu, and F. So

8/18/2022

Room-temperature superfluorescence in hybrid perovskites and its origins

M. Biliroglu, G. Findik, J. Mendes, D. Seyitliyev, L. Lei, Q. Dong, Y. Mehta, V. V. Temnov, F. So, and K. Gundogdu

3/31/2022

Influence of Annealing and Composition on the Crystal Structure of Mixed-Halide, Ruddlesden–Popper Perovskites

N. E. Wright, X. Qin, J. Xu, L. L. Kelly, S. P. Harvey, M. F. Toney, V. Blum, and A. D. Stiff-Roberts

3/16/2022

Investigating the Stress–Strain Behavior in Ring-Opening Metathesis Polymerization-Based Brush Elastomers

K. Cushman, A. Keith, J. Tanaka, S. S. Sheiko, and W. You

9/7/2021

Structural descriptor for enhanced spin-splitting in 2D hybrid perovskites

M. K. Jana, R. Song, Y. Xie, R. Zhao, P. C. Sercel, V. Blum, and D. B. Mitzi

8/17/2021

Quasi-four-component method with numeric atom-centered orbitals for relativistic density functional simulations of molecules and solids

R. Zhao, V. W. Yu, K. Zhang, Y. Xiao, Y. Zhang, and V. Blum

6/28/2021

High-temperature superfluorescence in methyl ammonium lead iodide

G. Findik, M. Biliroglu, D. Seyitliyev, J. Mendes, A. Barrette, H. Ardekani, L. Lei, Q. Dong, F. So, and K. Gundogdu

6/21/2021

Metal Halide Perovskites for Laser Applications

L. Lei, Q. Dong, K. Gundogdu, and F. So

2/12/2021

Application of Atomic Layer Deposition in Dye-Sensitized Photoelectrosynthesis Cells

D. Wang, Q. Huang, W. Shi, W. You, and T. J. Meyer

1/1/2021

Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling

M. K. Jana, R. Song, H. Liu, D. R. Khanal, S. M. Janke, R. Zhao, C. Liu, Z. Valy Vardeny, V. Blum, and D. B. Mitzi

9/17/2020

Pentacene and tetracene molecules and films on H/Si(111): level alignment from hybrid density functional theory

S. M. Janke, M. Rossi, S. V. Levchenko, S. Kokott, M. Scheffler, and V. Blum

8/4/2020

A molecular tandem cell for efficient solar water splitting

D. Wang, J. Hu, B. D. Sherman, M. V. Sheridan, L. Yan, C. J. Dares, Y. Zhu, F. Li, Q. Huang, W. You, and T. J. Meyer

6/1/2020

Frenkel–Holstein Hamiltonian applied to absorption spectra of quaterthiophene-based 2D hybrid organic–inorganic perovskites

S. M. Janke, M. B. Qarai, V. Blum, and F. C. Spano

4/9/2020

Efficient Energy Funneling in Quasi‐2D Perovskites: From Light Emission to Lasing

L. Lei, D. Seyitliyev, S. Stuard, J. Mendes, Q. Dong, X. Fu, Y. Chen, S. He, X. Yi, L. Zhu, C. Chang, H. Ade, K. Gundogdu, and F. So

2/28/2020

All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals

C. Liu, J. Kloppenburg, Y. Yao, X. Ren, H. Appel, Y. Kanai, and V. Blum

1/24/2020

MatD^3^: A Database and Online Presentation Package for Research Data Supporting Materials Discovery, Design, and Dissemination

R. Laasner, X. Du, A. Tanikanti, C. Clayton, M. Govoni, G. Galli, M. Ropo, and V. Blum

1/16/2020

Operational stability of perovskite light emitting diodes

Q. Dong, L. Lei, J. Mendes, and F. So

1/2/2020

Molecular engineering of organic–inorganic hybrid perovskites quantum wells

Y. Gao, E. Shi, S. Deng, S. B. Shiring, J. M. Snaider, C. Liang, B. Yuan, R. Song, S. M. Janke, A. Liebman-Peláez, P. Yoo, M. Zeller, B. W. Boudouris, P. Liao, C. Zhu, V. Blum, Y. Yu, B. M. Savoie, L. Huang, and L. Dou

11/11/2019

Enhancing Photovoltaic Performance of Aromatic Ammonium‐based Two‐Dimensional Organic‐Inorganic Hybrid Perovskites via Tuning CH···π Interaction

L. Yan, J. Hu, N. Zhou, A. M. Moran, and W. You

10/31/2019

Resolving Rotational Stacking Disorder and Electronic Level Alignment in a 2D Oligothiophene-Based Lead Iodide Perovskite

M. K. Jana, C. Liu, S. Lidin, D. J. Dirkes, W. You, V. Blum, and D. B. Mitzi

9/24/2019

Aryl-Perfluoroaryl Interaction in Two-Dimensional Organic–Inorganic Hybrid Perovskites Boosts Stability and Photovoltaic Efficiency

J. Hu, I. W. H. Oswald, H. Hu, S. J. Stuard, M. M. Nahid, L. Yan, Z. Chen, H. Ade, J. R. Neilson, and W. You

6/5/2019

Direct-Bandgap 2D Silver–Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation

M. K. Jana, S. M. Janke, D. J. Dirkes, S. Dovletgeldi, C. Liu, X. Qin, K. Gundogdu, W. You, V. Blum, and D. B. Mitzi

4/23/2019

Synthetic control over orientational degeneracy of spacer cations enhances solar cell efficiency in two-dimensional perovskites

J. Hu, I. W. H. Oswald, S. J. Stuard, M. M. Nahid, N. Zhou, O. F. Williams, Z. Guo, L. Yan, H. Hu, Z. Chen, X. Xiao, Y. Lin, Z. Yang, J. Huang, A. M. Moran, H. Ade, J. R. Neilson, and W. You

3/20/2019

Tunable internal quantum well alignment in rationally designed oligomer-based perovskite films deposited by resonant infrared matrix-assisted pulsed laser evaporation

W. A. Dunlap-Shohl, E. T. Barraza, A. Barrette, S. Dovletgeldi, G. Findik, D. J. Dirkes, C. Liu, M. K. Jana, V. Blum, W. You, K. Gundogdu, A. D. Stiff-Roberts, and D. B. Mitzi

1/1/2019

Stereochemically active lead chloride enantiomers mediated by homochiral organic cation

L. Zhu, Y. Huang, Y. Lin, X. Huang, H. Liu, D. B. Mitzi, and K. Du

1/1/2019

Tunable Semiconductors: Control over Carrier States and Excitations in Layered Hybrid Organic-Inorganic Perovskites

C. Liu, W. Huhn, K. Du, A. Vazquez-Mayagoitia, D. Dirkes, W. You, Y. Kanai, D. B. Mitzi, and V. Blum

10/4/2018

Two‐Dimensional Organic–Inorganic Hybrid Perovskites: A New Platform for Optoelectronic Applications

J. Hu, L. Yan, and W. You

9/10/2018

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