Mg_2(OH)_2CO_3·3H_2O Whiskers Growth Mechanism

From the perspective of growth units, the growth mechanism of Mg2（OH）2CO3.3H2O whisker is investigated in this paper. Results show that the growth morphology of Mg2（OH）2CO33H2O whisker is consistent with the model of anion coordination polyhedron growth units. The growth solution Raman shift of Mg2（OH）2CO;3H2O was monitored using Raman spectroscopy. The growth units are [Mg-（OH）4]2- and H2COv The growth process of Mg2（OH）2COf3H2O whisker is as follows： growth unit [Mg-（OH）4]2- first incorporates into the larger dimension [Mg-（OH）4]2-, then the [Mg-（OH）4]2-n combines with H2CO3 into a linear skeleton Mg2（OH）2CO3 in the same line. Mg2（OH）2CO3 combines with H2O by hydrogen bonds and ultimately transforms into Mg2（OH）2COf3H2O whisker. Magnesium carbonate whiskers have a layered structure, each of which is made of magnesium, carbon, oxygen, with H2O in between each layer. When skeletons are superimposed within the same plane as a parallelepiped one, they grow into solid cuboid-shaped whiskers. When the parallelepiped skeletons planes combine with each other through the cascading links, they grow into hollow cylindrical whiskers.

Growth Habit of the Basic Oxysulfate Magnesium Whisker

The growth habit of the basic magnesium oxysulfate whisker was investigated based on the theoreticalmodelof anion coordination polyhedron growth units.It is found that typicalbasic magnesium oxysulfate whisker growth is consistent with anion tetrahedralcoordination incorporation rules.The growth units of basic magnesium oxysulfate whiskers are [Mg-（OH）_4]^（2-） and HSO_4^-.[Mg-（OH）_4]^（2-） is the favorable growth unit and whisker growth is in the direction of the [Mg-（OH）_4]^（2-） combination.A plurality of [Mg-（OH）_4]^（2-） s combine and become a larger dimensionalgrowth unit in a one-dimensionaldirection.Then HSO_4^- and larger dimensionalgrowth units connect as basic magnesium sulfate whiskers,according to the structuralcharacteristics of the basic magnesium sulfate whisker,which can guide the synthesis of magnesium hydroxide whisker.

Quantifying structural distortion manipulation for desired perovskite phase:PartⅡ.Three-step workflow to reveal phase evolution logic

Distortion manipulation emerges as an efficient approach to obtain desired perovskite phases for various applications.In part I of this study,we propose a paradigm to quantify the structural distortion manipulation,which enables us to obtain desired perovskite phases by translating relevant materials research into a single mathematical question.As part II of this continuous study,we construct normalized structures by introducing all possible couplings of dominant distortions into a cubic supercell and then compare them with variously shaped primitive/conventional cells known in the database.The structure comparison demonstrates that distortions are the only cause for phase and property variations.This confirms that our proposed distortion parameters can be directly used to construct phases,providing theoretical support for the paradigm in Part I.Given the limited number of distortion types,we identify that the positional relations involved in distortion arrangements and couplings are the keys to describe numerous phases.Furtherly,a three-step workflow is proposed with core contents related to the positional relation,distortion hierarchy,and distortion-component-generation ordering in spatial dimension,respectively.The definition basis and value changes of distortion/model parameters in this workflow illustration provide guidelines about how to reveal the logic behind the perovskite phase evolution.

Quantifying structural distortion manipulation for desired perovskite phase:PartⅠ.Paradigm demonstration in tungsten oxides

Slight distortions can cause dramatic changes in the properties of crystalline perovskite materials and their derivatives.Due to the numerous types of distortions and unclarified distortion-structure relations,a quantitative distortion manipulation for the desired crystalline phase of perovskite materials suitable for various application remains challenging.Here,by establishing parameter sets to systematically describe the types,magnitudes and positional relations involved in distortions,we are able to interpret the structural regulations and manipulation strategies in 7 reported crystal systems.Through the con-struction of distortion-phase-property functional curves,we further propose a paradigm to quantify the structural distortion manipulation for desired perovskite phases.Using the example of perovskite-like tungsten oxides,we successfully quantify their volume shrinkage and symmetry increase during lith-iation.This work verifies that the complicated research and development of perovskite materials can be simplified into a mathematical problem solving process,which will inspire researchers with different backgrounds to participate,especially mathematicians and computer scientists.

The growth mechanism of hydrotalcite crystal

From the point of growth units, the growth mechanism of hydrotalcite (HT) crystal is investigated in this paper. Results show that the growth morphology of HT is consistent with the model of anion coordination polyhedron growth units. The Raman shift of growth solutions of HT, Cu-HTlc, and Cu-Zn-HTlc are monitored using Raman spectroscopy. In the experiment, the growth units of Mg-Al-hydrotalcite are [Mg-(OH)6]4- and [Al-(OH)6]3-, and the growth units of Cu-Htlc and Cu-Zn-HTlc are [Mg-(OH)6]4- and [Al-(OH)6]3-, respectively. The growth process of hydrotalcite is as follows: growth units first incorpo- rate into metal layers, then metal layers adsorb An- and H2O, and the growth units incorporate into layer compounds according to this rule. Growth units will have different incorporations and growth morphologies caused by different growth surroundings. Furthermore, the reason why Cu-HTlc is difficult to synthesize is also interpreted in this paper.