title: Orthotropic Piezoelectricity in 2D Nanocellulose.
abstract: The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present Iβ-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D Iβ-nanocellulose piezoelectric response, ~pm V-1, ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies.
authors.affiliation: Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and The Barcelona Institute of Science and Technology, Campus UAB, Bellaterra, 08193 Barcelona, Spain.
authors.forename: Y
authors.initials: Y
authors.lastname: García
authors.affiliation: Unit of Computer-Aided Molecular "Biosilico" Discovery and Bioinformatics Research (CAMD-BIR Unit), Facultad de Química y Farmacia. Universidad Central "Marta Abreu" de Las Villas, 54830 Santa Clara, Cuba.
authors.forename: Yasser B
authors.initials: YB
authors.lastname: Ruiz-Blanco
authors.affiliation: Unit of Computer-Aided Molecular "Biosilico" Discovery and Bioinformatics Research (CAMD-BIR Unit), Facultad de Química y Farmacia. Universidad Central "Marta Abreu" de Las Villas, 54830 Santa Clara, Cuba.|Universidad San Francisco de Quito (USFQ), Grupo de Medicina Molecular y Traslacional (MeM&T), Colegio de Ciencias de la Salud (COCSA), Escuela de Medicina, Edificio de Especialidades Médicas, Hospital de los Valles, Av. Interoceánica Km 12 ½-Cumbayá, e Instituto de Simulación Computacional (ISC-USFQ), Diego de Robles y vía Interoceánica, Quito 170157, Ecuador.
authors.forename: Yovani
authors.initials: Y
authors.lastname: Marrero-Ponce
authors.affiliation: Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and The Barcelona Institute of Science and Technology, Campus UAB, Bellaterra, 08193 Barcelona, Spain.|ICREA-Institució Catalana de Recerca i Estudis Avançats, E-08010 Barcelona, Spain.
authors.forename: C M
authors.initials: CM
authors.lastname: Sotomayor-Torres