cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.17430434
title: Coherent Optical Power Conversion via Plasmonically-Coupled Tunneling Rectennas: A Non-Equilibrium Framework Bypassing Thermodynamic Limits

description: Conventional photovoltaic (PV) technology is fundamentally constrained by the Shockley-Queisser (S-Q) limit, predicated on incoherent photon absorption and thermal relaxation in semiconductor p-n junctions, imposing a maximum efficiency of 33.7% for single-junction photovoltaics. This paper presents a complete, rigorously validated, and experimentally benchmarked theoretical framework for a coherent power converter—an optical rectifying antenna (rectenna)—that operates entirely outside this thermodynamic paradigm. By harvesting incident electromagnetic (EM) radiation as a coherent wave, this architecture circumvents thermalization losses inherent to bandgap-limited systems. We develop a multi-physics model that seamlessly couples classical electromagnetics with non-equilibrium quantum transport, providing a precise and self-consistent description of the device dynamics.

The proposed device architecture features a large-scale array of impedance-matched gold (Au) bowtie nano-antennas, meticulously optimized for localized surface plasmon resonance (LSPR) across the AM1.5G solar spectrum. Each nano-antenna is monolithically integrated with an ultrafast Metal-Insulator-Metal (MIM) diode at its feed-gap, enabling petahertz (PHz)-scale rectification. The electromagnetic model employs Ansys Lumerical FDTD 2024 R2.1 with a Drude-Lorentz permittivity for Au, yielding a feed-gap field enhancement factor β_E = 1150 and an integrated solar absorption A_int = 88.2%. The quantum transport model leverages the Simmons tunneling formalism for DC characteristics and Tucker's quantum mixer theory for high-frequency rectification, augmented by the Non-Equilibrium Green's Function (NEGF) method with self-consistent Born approximation (SCBA) implemented in Python 3.11/NumPy, optimizing a Ti/TiO₂/Pt junction (2.1 nm barrier) for high work-function asymmetry (ΔΦ ≈ 0.9 eV), zero-bias resistance R_0 ≈ 140 Ω (matched to antenna impedance Z_A), and nonlinearity γ > 4.

The coupled system analysis predicts a total theoretical power conversion efficiency (PCE) of 68.7%, bounded solely by quantified Ohmic/radiative losses (11.7%), quantum back-tunneling (3.8%), and inelastic decoherence (5.3%), independent of bandgap thermodynamics. This framework not only surpasses the S-Q limit but establishes a scalable, experimentally actionable blueprint for next-generation solar energy harvesting, grounded in first-principles physics, fully validated against published experimental data, and supported by comprehensive sensitivity, temperature, and degradation analyses.

**Keywords:** Optical Rectenna, Coherent Power Conversion, Shockley-Queisser Limit, Plasmonics, Non-Equilibrium Green's Function (NEGF), MIM Diode, Quantum Tunneling, Impedance Matching, Self-Consistent Born Approximation, Model Validation, Loss Quantification, Sensitivity Analysis
DOI: 10.15468/dl.mjh4a6
title: Occurrence Download

description: A dataset containing 28957 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Carpinus caroliniana"
 ]
}

 The dataset includes 28957 records from 356 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054089-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.15494291
title: Mars-Bench: mb-atmospheric_dust_cls_edr

description: This is binary classification task focused on classifying between “Dusty” and “Non dusty” regions in Mars surface imagery captured by the HiRISE camera on the Mars Reconnaissance Orbiter. The EDR (Experimental Data Record) refers to raw images from the instrument that have not been calibrated or stitched together; while the RDR (Reduced Data Record) is a downsampled or processed version of the EDR, typically used for quick viewing or initial analysis. 

 

To explore all Mars-Bench resources, visit our project website:

https://mars-bench.github.io/
DOI: 10.5281/zenodo.15494290
title: Mars-Bench: mb-atmospheric_dust_cls_edr

description: This is binary classification task focused on classifying between “Dusty” and “Non dusty” regions in Mars surface imagery captured by the HiRISE camera on the Mars Reconnaissance Orbiter. The EDR (Experimental Data Record) refers to raw images from the instrument that have not been calibrated or stitched together; while the RDR (Reduced Data Record) is a downsampled or processed version of the EDR, typically used for quick viewing or initial analysis. 

 

To explore all Mars-Bench resources, visit our project website:

https://mars-bench.github.io/
DOI: 10.13140/rg.2.2.13323.96801
title: Self-flocculating efficacy of strain CMSACR2005
DOI: 10.15468/dl.9cd2t8
title: Occurrence Download

description: A dataset containing 81296 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Reynoutria japonica",
 "HasCoordinate is true",
 "Country is United Kingdom of Great Britain and Northern Ireland"
 ]
}

 The dataset includes 81296 records from 147 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054071-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.15494319
title: Mars-Bench: mb-atmospheric_dust_cls_rdr

description: This is binary classification task focused on classifying between “Dusty” and “Non dusty” regions in Mars surface imagery captured by the HiRISE camera on the Mars Reconnaissance Orbiter. The EDR (Experimental Data Record) refers to raw images from the instrument that have not been calibrated or stitched together; while the RDR (Reduced Data Record) is a downsampled or processed version of the EDR, typically used for quick viewing or initial analysis. 

 

To explore all Mars-Bench resources, visit our project website:

https://mars-bench.github.io/
DOI: 10.5281/zenodo.15494320
title: Mars-Bench: mb-atmospheric_dust_cls_rdr

description: This is binary classification task focused on classifying between “Dusty” and “Non dusty” regions in Mars surface imagery captured by the HiRISE camera on the Mars Reconnaissance Orbiter. The EDR (Experimental Data Record) refers to raw images from the instrument that have not been calibrated or stitched together; while the RDR (Reduced Data Record) is a downsampled or processed version of the EDR, typically used for quick viewing or initial analysis. 

 

To explore all Mars-Bench resources, visit our project website:

https://mars-bench.github.io/
DOI: 10.5517/ccdc.csd.cc1kl64h
title: CCDC 1447456: Experimental Crystal Structure Determination

description: Related Article: Lin Lin, Qi-Jia Fan, Guo-Xin Jin|2017|J.Organomet.Chem.|829|85|doi:10.1016/j.jorganchem.2016.11.014
description: Related Article: Lin Lin, Yue‐jian Lin, Guo‐xin Jin|2019|Appl.Organomet.Chem.|33|e4759|doi:10.1002/aoc.4759
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc117y18
title: CCDC 960939: Experimental Crystal Structure Determination

description: Related Article: Lin Lin, Qi-Jia Fan, Guo-Xin Jin|2017|J.Organomet.Chem.|829|85|doi:10.1016/j.jorganchem.2016.11.014
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc117y29
title: CCDC 960940: Experimental Crystal Structure Determination

description: Related Article: Lin Lin, Qi-Jia Fan, Guo-Xin Jin|2017|J.Organomet.Chem.|829|85|doi:10.1016/j.jorganchem.2016.11.014
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.ccsh1y7
title: CCDC 729459: Experimental Crystal Structure Determination

description: Related Article: Ting-Yu Lee, Yi-Jen Lin, Yuan-Zhen Chang, Li-Shin Huang, Bao-Tsan Ko, and Jui-Hsien Huang|2017|Organometallics|36|291|doi:10.1021/acs.organomet.6b00756
description: Related Article: Ting-Yu Lee|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgc3k
title: CCDC 1503348: Experimental Crystal Structure Determination

description: Related Article: Mehdi Ghandi, Parham Moshtaghi, Alireza Abbasi|2017|Tetrahedron Lett.|58|1887|doi:10.1016/j.tetlet.2017.04.009
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgdm3
title: CCDC 1503395: Experimental Crystal Structure Determination

description: Related Article: Ting-Yu Lee, Yi-Jen Lin, Yuan-Zhen Chang, Li-Shin Huang, Bao-Tsan Ko, and Jui-Hsien Huang|2017|Organometallics|36|291|doi:10.1021/acs.organomet.6b00756
description: Related Article: Ting-Yu Lee|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgc4l
title: CCDC 1503349: Experimental Crystal Structure Determination

description: Related Article: Shuzhen Liu, Jingyu Han, Peipei Sun, Yun Liu, Yali Shen, Chunying Tang, Hui Sun, and Dingxian Jia|2017|Z.Naturforsch.,B:Chem.Sci.|72|231|doi:10.1515/znb-2016-0236
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgc5m
title: CCDC 1503350: Experimental Crystal Structure Determination

description: Related Article: Shuzhen Liu, Jingyu Han, Peipei Sun, Yun Liu, Yali Shen, Chunying Tang, Hui Sun, and Dingxian Jia|2017|Z.Naturforsch.,B:Chem.Sci.|72|231|doi:10.1515/znb-2016-0236
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgcct
title: CCDC 1503356: Experimental Crystal Structure Determination

description: Related Article: Jeong-Yu Son, Jonghye Kim, Sang Hoon Han, Sung Hong Kim, Phil Ho Lee|2016|Org.Lett.|18|5408|doi:10.1021/acs.orglett.6b02805
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgcdv
title: CCDC 1503357: Experimental Crystal Structure Determination

description: Related Article: D.Mazzier, L.Grassi, A.Moretto, C.Aleman, F.Formaggio, C.Toniolo, M.Crisma|2017|J.Pept.Sci.|23|346|doi:10.1002/psc.2957
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgcfw
title: CCDC 1503358: Experimental Crystal Structure Determination

description: Related Article: D.Mazzier, L.Grassi, A.Moretto, C.Aleman, F.Formaggio, C.Toniolo, M.Crisma|2017|J.Pept.Sci.|23|346|doi:10.1002/psc.2957
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgcgx
title: CCDC 1503359: Experimental Crystal Structure Determination

description: Related Article: D.Mazzier, L.Grassi, A.Moretto, C.Aleman, F.Formaggio, C.Toniolo, M.Crisma|2017|J.Pept.Sci.|23|346|doi:10.1002/psc.2957
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgchy
title: CCDC 1503360: Experimental Crystal Structure Determination

description: Related Article: D.Mazzier, L.Grassi, A.Moretto, C.Aleman, F.Formaggio, C.Toniolo, M.Crisma|2017|J.Pept.Sci.|23|346|doi:10.1002/psc.2957
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgcjz
title: CCDC 1503361: Experimental Crystal Structure Determination

description: Related Article: D.Mazzier, L.Grassi, A.Moretto, C.Aleman, F.Formaggio, C.Toniolo, M.Crisma|2017|J.Pept.Sci.|23|346|doi:10.1002/psc.2957
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgck0
title: CCDC 1503362: Experimental Crystal Structure Determination

description: Related Article: D.Mazzier, L.Grassi, A.Moretto, C.Aleman, F.Formaggio, C.Toniolo, M.Crisma|2017|J.Pept.Sci.|23|346|doi:10.1002/psc.2957
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgcl1
title: CCDC 1503363: Experimental Crystal Structure Determination

description: Related Article: D.Mazzier, L.Grassi, A.Moretto, C.Aleman, F.Formaggio, C.Toniolo, M.Crisma|2017|J.Pept.Sci.|23|346|doi:10.1002/psc.2957
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgcm2
title: CCDC 1503364: Experimental Crystal Structure Determination

description: Related Article: D.Mazzier, L.Grassi, A.Moretto, C.Aleman, F.Formaggio, C.Toniolo, M.Crisma|2017|J.Pept.Sci.|23|346|doi:10.1002/psc.2957
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgcn3
title: CCDC 1503365: Experimental Crystal Structure Determination

description: Related Article: D.Mazzier, L.Grassi, A.Moretto, C.Aleman, F.Formaggio, C.Toniolo, M.Crisma|2017|J.Pept.Sci.|23|346|doi:10.1002/psc.2957
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgcp4
title: CCDC 1503366: Experimental Crystal Structure Determination

description: Related Article: D.Mazzier, L.Grassi, A.Moretto, C.Aleman, F.Formaggio, C.Toniolo, M.Crisma|2017|J.Pept.Sci.|23|346|doi:10.1002/psc.2957
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgcq5
title: CCDC 1503367: Experimental Crystal Structure Determination

description: Related Article: D.Mazzier, L.Grassi, A.Moretto, C.Aleman, F.Formaggio, C.Toniolo, M.Crisma|2017|J.Pept.Sci.|23|346|doi:10.1002/psc.2957
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1knjj8
title: CCDC 1449700: Experimental Crystal Structure Determination

description: Related Article: Rodrigo da Silva Viana, Jaroslaw Chojnacki, Eduardo Henrique Lago Falcão, Severino Alves Junior|2017|J.Lumin.|182|29|doi:10.1016/j.jlumin.2016.09.057
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.ccxn5wl
title: CCDC 853550: Experimental Crystal Structure Determination

description: Related Article: Mohammed Z. Ghdhayeb, Rosenani A. Haque, Srinivasa Budagumpi, Mohamed B. Khadeer Ahamed, Amin Malik Shah Abdul Majid|2017|Inorg.Chem.Commun.|75|41|doi:10.1016/j.inoche.2016.11.014
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgcs7
title: CCDC 1503369: Experimental Crystal Structure Determination

description: Related Article: Y.-C.Wang, G.-F.Wang, Z.-R.Liu|2018|Zh.Strukt.Khim.|59|733|doi:10.1134/S0022476618030368
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgdq6
title: CCDC 1503398: Experimental Crystal Structure Determination

description: Related Article: A.J.M.Al-Karawi|2017|Koord.Khim.|43|113|doi:10.1134/S1070328417020014
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgct8
title: CCDC 1503370: Experimental Crystal Structure Determination

description: Related Article: Y.-C.Wang, G.-F.Wang, Z.-R.Liu|2018|Zh.Strukt.Khim.|59|733|doi:10.1134/S0022476618030368
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgcv9
title: CCDC 1503371: Experimental Crystal Structure Determination

description: Related Article: Niklas von Wolff, Claude Villiers, Pierre Thuéry, Guillaume Lefèvre, Michel Ephritikhine, Thibault Cantat|2017|Eur.J.Org.Chem.|2017|676|doi:10.1002/ejoc.201601267
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mgcwb
title: CCDC 1503372: Experimental Crystal Structure Determination

description: Related Article: Niklas von Wolff, Claude Villiers, Pierre Thuéry, Guillaume Lefèvre, Michel Ephritikhine, Thibault Cantat|2017|Eur.J.Org.Chem.|2017|676|doi:10.1002/ejoc.201601267
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.