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1. Full Text From the Kohn-Sham band gap to the fundamental gap in solids. An integer electron approach
by Baerends, E. J
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 06/2017, Volume 19, Issue 24, pp. 15639 - 15656
Physical and Theoretical Chemistry | Physics and Astronomy(all) | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Integers | Discontinuity | Approximation | Mathematical analysis | Ground state | Derivatives | Excitation | Energy gaps (solid state)
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2. Full Text Calculation of electron affinity, ionization potential, transport gap, optical band gap and exciton binding energy of organic solids using ‘solvation’ model and DFT
by Nayak, Pabitra K and Periasamy, N
Organic electronics, ISSN 1566-1199, 2009, Volume 10, Issue 7, pp. 1396 - 1400
Organic solid | Electron affinity | Exciton binding energy | Density functional theory | Ionization potential | Polarizable continuum model | Transport gap | Physical Sciences | Materials Science | Technology | Materials Science, Multidisciplinary | Physics | Science & Technology | Physics, Applied | Electronics | Applied sciences | Molecular electronics, nanoelectronics | Exact sciences and technology | Semiconductor electronics. Microelectronics. Optoelectronics. Solid state devices | Models | Chemical properties | Analysis | Force and energy
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3. Full Text Perovskite-perovskite tandem photovoltaics with optimized band gaps
by Eperon, Giles E and Leijtens, Tomas and Bush, Kevin A and Prasanna, Rohit and Green, Thomas and Wang, Jacob Tse-Wei and McMeekin, David P and Volonakis, George and Milot, Rebecca L and May, Richard and Palmstrom, Axel and Slotcavage, Daniel J and Belisle, Rebecca A and Patel, Jay B and Parrott, Elizabeth S and Sutton, Rebecca J and Ma, Wen and Moghadam, Farhad and Conings, Bert and Babayigit, Aslihan and Boyen, Hans-Gerd and Bent, Stacey and Giustino, Feliciano and Herz, Laura M and Johnston, Michael B and McGehee, Michael D and Snaith, Henry J
Science (American Association for the Advancement of Science), ISSN 0036-8075, 11/2016, Volume 354, Issue 6314, pp. 861 - 865
Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Solar energy industry | Perovskite | Properties | Usage | Optimization techniques | Band gap | Photovoltaic cells | Solar cells | Thin films | Wavelengths | Efficiency | Voltage | Perovskites | Energy gaps (solid state)
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4. Full Text Strain-induced suppression of the miscibility gap in nanostructured Mg2Si-Mg2Sn solid solutions
by Yi, Su-in and Attari, Vahid and Jeong, Myunghwan and Jian, Jie and Xue, Sichuang and Wang, Haiyan and Arroyave, Raymundo and Yu, Choongho
Journal of materials chemistry. A, Materials for energy and sustainability, ISSN 2050-7488, 9/2018, Volume 6, Issue 36, pp. 17559 - 1757
Physical Sciences | Chemistry | Materials Science | Technology | Materials Science, Multidisciplinary | Chemistry, Physical | Energy & Fuels | Science & Technology | Strain analysis | Phase diagrams | Annealing | Metal silicides | Intermetallic compounds | Toxicity | Thermoelectric generators | Ball milling | X-ray diffraction | Binary systems (materials) | Magnesium compounds | Thermoelectric materials | Organic chemistry | Spark plasma sintering | Transmission electron microscopy | Solid solutions | Energy | Phase separation | Miscibility | Evolution | Lattice strain | Thermal analysis | Thermal cycling
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5. Full Text Atomically Thin Arsenene and Antimonene: Semimetal–Semiconductor and Indirect–Direct Band‐Gap Transitions
by Zhang, Shengli and Yan, Zhong and Li, Yafei and Chen, Zhongfang and Zeng, Haibo
Angewandte Chemie (International ed.), ISSN 1433-7851, 03/2015, Volume 54, Issue 10, pp. 3112 - 3115
density functional calculations | antimony | electronic properties | arsenic | semiconductors | Antimony | Electronic properties | Density functional calculations | Arsenic | Semiconductors | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Arsenicals - chemistry | Metals - chemistry | Antimony - chemistry | Chemical properties | Transistors | Index Medicus | Metalloids | Molybdenum disulfide | Optoelectronic devices | Two dimensional | Photonic band gaps | Energy gaps (solid state)
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6. Full Text Ecofriendly method to synthesize poly (o-aminophenol) based on solid state polymerization and fabrication of nanostructured semiconductor thin film
by Zoromba, M. Sh and Abdel-Aziz, M.H
Polymer (Guilford), ISSN 0032-3861, 06/2017, Volume 120, pp. 20 - 29
Semiconductor thin film | Solid state polymerization | Poly ortho aminophenol | Polymer Science | Physical Sciences | Science & Technology | Thin films | Semiconductors | Analysis | Polymerization | X-ray spectroscopy | Dielectric films | Electron microscopy | Methods | Semiconductor industry | Solvents | Scanning electron microscopy | Atomic force microscopy | Spectroscopy | Fourier transforms | Semiconductor materials | Thermogravimetric analysis | Polyaminophenol | X-ray diffraction | Infrared spectra | Infrared analysis | Fabrication | o-Aminophenol | Solid state | Energy gap | Optical properties | Band gap | Chemical synthesis
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7. Full Text Double‐Layer Polymer Electrolyte for High‐Voltage All‐Solid‐State Rechargeable Batteries
by Zhou, Weidong and Wang, Zhaoxu and Pu, Yuan and Li, Yutao and Xin, Sen and Li, Xiaofang and Chen, Jianfeng and Goodenough, John B
Advanced materials (Weinheim), ISSN 0935-9648, 01/2019, Volume 31, Issue 4, pp. e1805574 - n/a
interfaces | polymer Li+ conductivity | lithium batteries | rechargeable batteries | conductivity | polymer Li | Materials Science | Materials Science, Multidisciplinary | Physics, Condensed Matter | Science & Technology - Other Topics | Chemistry, Physical | Physics | Science & Technology | Physics, Applied | Physical Sciences | Chemistry | Nanoscience & Nanotechnology | Technology | Chemistry, Multidisciplinary | Electric potential | Electron states | Energy gap | Electrolytes | Lithium | Oxidation | Ethylene oxide | Polymers | Anodes | Dendritic structure | Cathodes | Rechargeable batteries
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8. Full Text Attosecond band-gap dynamics in silicon
by Martin Schultze and Krupa Ramasesha and C.D. Pemmaraju and S.A. Sato and D. Whitmore and A. Gandman and James S. Prell and L. J. Borja and D. Prendergast and K. Yabana and Daniel M. Neumark and Stephen R. Leone
Science (American Association for the Advancement of Science), ISSN 0036-8075, 12/2014, Volume 346, Issue 6215, pp. 1348 - 1352
Conduction bands | Electric pulses | Charge carriers | Semiconductors | Lasers | Pumps | REPORTS | Phonons | Electron tunneling | Silicon | Electric fields | Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Spectrum analysis | Electron affinity | Models | Properties | Electron transport | Methods | Electron transfer | Materials science | Lattices | Electronics | Conduction band | Energy gaps (solid state)
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9. Full Text First-principles calculations for point defects in solids
by Freysoldt, Christoph and Grabowski, Blazej and Hickel, Tilmann and Neugebauer, Jörg and Kresse, Georg and Janotti, Anderson and Van De Walle, Chris G
Reviews of modern physics, ISSN 0034-6861, 03/2014, Volume 86, Issue 1, pp. 253 - 305
Physics, Multidisciplinary | Physical Sciences | Physics | Science & Technology | Impurity distribution | Thermodynamics | Usage | Semiconductors | Analysis | Density functionals | Influence | Research | Structure | Energy of formation | Electronic structure | Crystal defects | Point defects | Insulators | Mathematical models | Energy gaps (solid state)
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