Papers citing Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis
Emerging inorganic solar cell efficiency tables (Version 1)
Journal of Physics Energy · 2019-05-21
Lydia Helena Wong, Andriy Zakutayev, Jonathan Douglas Major, Xiaojing Hao, Aron Walsh, Teodor K. Todorov, Edgardo Saucedo
Read original paper ↗ ·A map of the inorganic ternary metal nitrides
Nature Materials · 2019-06-17
Wenhao Q. Sun, Christopher J. Bartel, Elisabetta Arca, Sage R. Bauers, Bethany E. Matthews, Bernardo Orvañanos, Bor-Rong Chen, Michael F. Toney, Laura T. Schelhas, William Tumas, Janet Tate, Andriy Zakutayev, Stephan Lany, Aaron M. Holder, Gerbrand Ceder
Read original paper ↗ ·Charting stability space
Nature Materials · 2019-06-17
Ralf Riedel, Zhaoju Yu
Read original paper ↗ ·Structural and magnetic properties of transition-metal doped scandium nitride (ScN): Spin density functional theory
Physica B Condensed Matter · 2019-06-21
Worasak Sukkabot
Read original paper ↗ ·Ternary nitride semiconductors in the rocksalt crystal structure
Proceedings of the National Academy of Sciences · 2019-07-03
Sage R. Bauers, Aaron M. Holder, Wenhao Q. Sun, Celeste L. Melamed, Rachel Woods‐Robinson, John S. Mangum, John D. Perkins, William Tumas, Brian P. Gorman, Adele C. Tamboli, Gerbrand Ceder, Stephan Lany, Andriy Zakutayev
Read original paper ↗ ·Discovery of new materials using combinatorial synthesis and high-throughput characterization of thin-film materials libraries combined with computational methods
npj Computational Materials · 2019-07-10
Alfred Ludwig
Read original paper ↗ ·Heteroepitaxial Thin-Film Growth of a Ternary Nitride Semiconductor CaZn2N2
ACS Applied Electronic Materials · 2019-07-11
Masatake Tsuji, Kota Hanzawa, Hiroyuki Kinjo, Hidenori Hiramatsu, Hideo Hosono
Read original paper ↗ ·Band alignment at surfaces and heterointerfaces of Al2O3 , Ga2O3 , In2O3 , and related group-III oxide polymorphs: A first-principles study
Physical Review Materials · 2019-08-23
Yoyo Hinuma, Tomoya Gake, Fumiyasu Oba
Read original paper ↗ ·Achieving non-degenerate Zn3N2 thin films by near room temperature sputtering deposition
Applied Physics Letters · 2019-08-26
Yong Wang, Takeo Ohsawa, Yu Kumagai, Kou Harada, Fumiyasu Oba, Naoki Ohashi
Read original paper ↗ ·Data-Driven Discovery of Photoactive Quaternary Oxides Using First-Principles Machine Learning
Chemistry of Materials · 2019-08-26
Daniel W. Davies, Keith T. Butler, Aron Walsh
Read original paper ↗ ·Route to a Superconducting Phase above Room Temperature in Electron-Doped Hydride Compounds under High Pressure
Physical Review Letters · 2019-08-26
Ying Sun, Jian Lv, Yu Xie, Hanyu Liu, Yanming Ma
Read original paper ↗ ·Tunable Light Emission through the Range 1.8–3.2 eV and p-Type Conductivity at Room Temperature for Nitride Semiconductors, Ca(Mg1–xZnx)2N2 (x = 0–1)
Inorganic Chemistry · 2019-08-29
Masatake Tsuji, Hidenori Hiramatsu, Hideo Hosono
Read original paper ↗ ·Machine Learning Interatomic Potentials as Emerging Tools for Materials Science
Advanced Materials · 2019-09-05
Volker L. Deringer, Miguel A. Caro, Gábor Cśanyi
Read original paper ↗ ·Solid Solutions of Grimm–Sommerfeld Analogous Nitride Semiconductors II‐IV‐N 2 (II=Mg, Mn, Zn; IV=Si, Ge): Ammonothermal Synthesis and DFT Calculations
Chemistry - A European Journal · 2019-09-17
Mathias Mallmann, Robin Niklaus, Tobias Rackl, Maximilian Benz, Thanh Chau, Dirk Johrendt, J. Minář, Wolfgang Schnick
Read original paper ↗ ·Materials Informatics for Process and Material Co-Optimization
IEEE Transactions on Semiconductor Manufacturing · 2019-09-24
Fumiaki Tanaka, Hiroshi Sato, Naoki Yoshii, H. Matsui
Read original paper ↗ ·Inverse Design of Solid-State Materials via a Continuous Representation
Matter · 2019-10-02
Juhwan Noh, Jaehoon Kim, Helge Sören Stein, Benjamín Sánchez-Lengeling, John M. Gregoire, Alán Aspuru‐Guzik, Yousung Jung
Read original paper ↗ ·Thin Film Synthesis of Semiconductors in the Mg–Sb–N Materials System
Chemistry of Materials · 2019-10-02
Karen N. Heinselman, Stephan Lany, John D. Perkins, Kevin R. Talley, Andriy Zakutayev
Read original paper ↗ ·High-performance ternary alkali nitrides for renewable energy applications
Physical Review Materials · 2019-10-21
Jiban Kangsabanik, Aftab Alam
Read original paper ↗ ·Highly accurate prediction of material optical properties based on density functional theory
Computational Materials Science · 2019-11-04
Mitsutoshi Nishiwaki, Hiroyuki Fujiwara
Read original paper ↗ ·Metal–Organic Chemical Vapor Deposition of ZnGeGa2N4
Crystal Growth & Design · 2019-11-27
Benthara Hewage Dinushi Jayatunga, Md Rezaul Karim, Rebecca A. Lalk, Okey Ohanaka, Walter R. L. Lambrecht, Hongping Zhao, Kathleen Kash
Read original paper ↗ ·Data-driven exploration for pressure-induced superconductors using diamond anvil cell with boron-doped diamond electrodes and undoped diamond insulating layer
High Pressure Research · 2019-12-03
Ryo Matsumoto, Zhufeng Hou, Shintaro Adachi, Masanori Nagao, Sayaka Yamamoto, Peng Song, Noriyuki Kataoka, Pedro Baptista de Castro, Kensei Terashima, Hiroyuki Takeya, Hiromi Tanaka, T. Yokoya, Tetsuo Irifune, Kiyoyuki Terakura, Yoshihiko Takano
Read original paper ↗ ·Computational discovery of promising new n-type dopable ABX Zintl thermoelectric materials
Materials Horizons · 2020-01-01
Prashun Gorai, Alex M. Ganose, Alireza Faghaninia, Anubhav Jain, Vladan Stevanović
Read original paper ↗ ·Doping by design: finding new n-type dopable ABX 4 Zintl phases for thermoelectrics
Journal of Materials Chemistry A · 2020-01-01
Jiaxing Qu, Vladan Stevanović, Elif Ertekin, Prashun Gorai
Read original paper ↗ ·Fast material search of lithium ion conducting oxides using a recommender system
Journal of Materials Chemistry A · 2020-01-01
Masaaki Hirayama, Kosei Ohura, Atsuto Seko, Yudai Iwamizu, Guowei Zhao, Masaaki Hirayama, Isao Tanaka, Masaaki Hirayama
Read original paper ↗ ·High pressure: a feasible tool for the synthesis of unprecedented inorganic compounds
Inorganic Chemistry Frontiers · 2020-01-01
Xuerong Wang, Xiaoyang Liu
Read original paper ↗ ·Descriptors for dielectric constants of perovskite-type oxides by materials informatics with first-principles density functional theory
Science and Technology of Advanced Materials · 2020-01-31
Yusuke Noda, Masanari Otake, Masanobu Nakayama
Read original paper ↗ ·Facile One‐step Synthesis of Zn1–xMnxSiN2 Nitride Semiconductor Solid Solutions via Solid‐state Metathesis Reaction
Zeitschrift für anorganische und allgemeine Chemie · 2020-02-03
Otto E. O. Zeman, Fabian O. von Rohr, Lukas Neudert, Wolfgang Schnick
Read original paper ↗ ·Prediction of quasi-one-dimensional superconductivity in metastable two-dimensional boron
Physical review. B./Physical review. B · 2020-02-27
Tong Chen, Qinyan Gu, Qun Chen, Xiaomeng Wang, Chris J. Pickard, Richard J. Needs, Dingyu Xing, Jian Sun
Read original paper ↗ ·Superconducting praseodymium superhydrides
Science Advances · 2020-02-28
Di Zhou, Dmitrii V. Semenok, Defang Duan, Hui Xie, Wuhao Chen, Xiaoli Huang, Xin Li, Bingbing Liu, Artem R. Oganov, Tian Cui
Read original paper ↗ ·Uncertainty-Quantified Hybrid Machine Learning/Density Functional Theory High Throughput Screening Method for Crystals
Journal of Chemical Information and Modeling · 2020-03-25
Juhwan Noh, Geun Ho Gu, Sungwon Kim, Yousung Jung
Read original paper ↗ ·Theoretical exploration of mixed-anion antiperovskite semiconductors M3XN(M=Mg,Ca,Sr,Ba;X=P,As,Sb,Bi)
Physical Review Materials · 2020-04-13
Yasuhide Mochizuki, Ha‐Jun Sung, Akira Takahashi, Yu Kumagai, Fumiyasu Oba
Read original paper ↗ ·Electronic structure investigation of wide band gap semiconductors—Mg 2 PN 3 and Zn 2 PN 3 : experiment and theory
Journal of Physics Condensed Matter · 2020-05-04
Md Fahim Al Fattah, Muhammad Ruhul Amin, Mathias Mallmann, Safa O Kasap, Wolfgang Schnick, A. Moewes
Read original paper ↗ ·Accuracy of Hybrid Functionals with Non-Self-Consistent Kohn–Sham Orbitals for Predicting the Properties of Semiconductors
Journal of Chemical Theory and Computation · 2020-05-05
Jonathan Michael Skelton, David S. D. Gunn, Sebastian Metz, Stephen C. Parker
Read original paper ↗ ·Synthesis of New Nitride Alloys with Mg by Plasma‐Assisted Molecular Beam Epitaxy
physica status solidi (b) · 2020-05-30
Iulian Gherasoiu, Kin Man Yu, Huseyin Ekinci, Bo Cui, Michael E. Hawkridge, Vladimir V. Kuryatkov, Matthew Gaddy, Sergey A. Nikishin, W. Walukiewicz
Read original paper ↗ ·High‐throughput computational materials screening and discovery of optoelectronic semiconductors
Wiley Interdisciplinary Reviews Computational Molecular Science · 2020-06-29
Shulin Luo, Tianshu Li, Xinjiang Wang, Muhammad Faizan, Lijun Zhang
Read original paper ↗ ·Data-Mining Element Charges in Inorganic Materials
arXiv (Cornell University) · 2020-07-04
Yu Cai Ding, Yu Kumagai, Fumiyasu Oba, Lee A. Burton
Read original paper ↗ ·Effect of annealing temperature on thermoelectric properties of zinc nitride thin films grown by thermal evaporation method
Ceramics International · 2020-07-21
Hassnain Zaman, Jolly Jacob, Khurram Mehboob, Khalid Mahmood, U. Rehman, Salma Ikram, Adnan Ali, Arslan Ashfaq, Nowshad Amin, Sajad Hussain, Z. Tanveer, Usman ul Ghani
Read original paper ↗ ·Low-cost descriptors of electrostatic and electronic contributions to anion redox activity in batteries
IOP SciNotes · 2020-07-21
Daniel W. Davies, Benjamin J. Morgan, David O. Scanlon, Aron Walsh
Read original paper ↗ ·Structural, electronic, optoelectronic and transport properties of LuZnCuAs2 compound: First principle calculations under DFT
Physica B Condensed Matter · 2020-07-29
Muhammad Waqas Iqbal, Mumtaz Manzoor, Hira Ateeq, Sikander Azam, G. Murtaza, Sikandar Aftab, Muhammad Arshad Kamran, Abdul Majid
Read original paper ↗ ·Probing into the global structural prediction, physical and electronic properties of A-X (A = Ca, Sr, Ba; X = La, Nd, Sm) binary intermetallic alloys
Journal of Alloys and Compounds · 2020-08-01
V. Jayalakshmi, G. Jaiganesh, Sundaramurthy Rameshkumar
Read original paper ↗ ·Data-Mining Element Charges in Inorganic Materials
The Journal of Physical Chemistry Letters · 2020-08-27
Yu Cai Ding, Yu Kumagai, Fumiyasu Oba, Lee A. Burton
Read original paper ↗ ·Numerical study of solar cells based on ZnSnN2 structure
Solar Energy · 2020-09-29
Abdelmoumene Laidouci, A. Aissat, Jean‐Pierre Vilcot
Read original paper ↗ ·Unraveling crystal symmetry and strain effects on electronic band structures of SiC polytypes
AIP Advances · 2020-10-01
Yuichiro Kuroiwa, Yu‐ichiro Matsushita, Fumiyasu Oba
Read original paper ↗ ·Monoclinic YFe12 phases predicted from first principles
Physical Review Materials · 2020-10-14
Takahiro Ishikawa, Taro Fukazawa, Takashi Miyake
Read original paper ↗ ·Experimental validation of high thermoelectric performance in RECuZnP 2 predicted by high-throughput DFT calculations
Materials Horizons · 2020-11-04
Jan‐Hendrik Pöhls, Sevan Chanakian, Junsoo Park, Alex M. Ganose, Alexander Dunn, Nick Friesen, Amit Bhattacharya, Brea Hogan, Sabah K. Bux, Anubhav Jain, Arthur Mar, Alexandra Zevalkink
Read original paper ↗ ·Virtual screening of nitrogen-, phosphorous- and halide-containing materials as p-type transparent conductors
Journal of Physics Materials · 2020-11-04
Hendrik Wiebeler, Ramya Kormath Madam Raghupathy, Hossein Mirhosseini, Thomas D. Kühne
Read original paper ↗ ·The role of disorder in the synthesis of metastable ternary nitrides
arXiv (Cornell University) · 2020-12-23
Rachel Woods‐Robinson, Vladan Stevanović, Stephan Lany, Karen N. Heinselman, Kristin Aslaug Persson, Andriy Zakutayev
Read original paper ↗ ·Theoretical study on the Y-Ba-H hydrides at high pressure
Physics Letters A · 2020-12-23
Haifeng Liu, Rong Cheng, Kaiping Yang, Bingyu Li, Lingyan Chen, Wen‐Cai Lu
Read original paper ↗ ·A cage boron allotrope with high superconductivity at ambient pressure
Journal of Materials Chemistry C · 2021-01-01
Yiwei Liang, Meiling Xu, Ziyang Qu, Shuyi Lin, Jian Hao, Yinwei Li
Read original paper ↗ ·Ammonothermal Materials
Springer series in materials science · 2021-01-01
Wolfgang Schnick, Niklas Cordes, Mathias Mallmann, Rainer Niewa, Elke Meißner
Read original paper ↗ ·